histamine

Histamine structural formula

Structural formula

Physical competition number 014W
Molecular formula C5H9N3
Molecular weight 111.15
label

1H-imidazole-4-ethylamine,

2-Imidazoleethylamine,

histamine,

Beta-aminoethylimidazole,

Beta-aminoethylglyoxaline,

histamine,

ergotamine,

2-Imidazol-4-ylethylamine,

Eramine,

Histamine, Free Base,

1H-Imidazole-4-ethanamine (9CI),

Histamine (8CI)

Numbering system

CAS number:51-45-6

MDL number:MFCD00005210

EINECS number:200-100-6

RTECS number:MS1050000

BRN number:2012

PubChem number:24895783

Physical property data

1. Properties: White needle-like crystals. Sensitive to air. Hygroscopic.

2. Density (g/mL, 25/4℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): Not determined

5. Boiling point (ºC, normal pressure): Not determined

6. Boiling point (ºC, 5.2kPa): Not determined Determined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturation Vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (% ,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility: Easily soluble in water, ethanol and hot chloroform , slightly soluble in ether.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 31.86

2. Molar volume (cm3/mol): 97.4

3. Isotonic specific volume (90.2K ): 266.6

4. Surface tension (dyne/cm)���56.0

5. Polarizability (10-24cm3): 12.63

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 2

6. Topological molecule polar surface area 54.7

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 64.7

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

Seal and store in a cool place away from light.

Synthesis method

Can be produced by decarboxylation of histidine.

Purpose

It can cause smooth muscle spasm, capillary dilation, and increased permeability. In allergic diseases, there may be a release of histamine or similar substances in the body. In medical treatment, it is mainly used to promote gastric acid secretion to check the secretory function of the stomach.

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Benzothiazole

Benzothiazole structural formula

Structural formula

Physical competition number 028Q
Molecular formula C7H5NS
Molecular weight 135.19
label

benzothiazole,

1,3-Thiazaindene,

metaazathione,

Benzothiazole,

1-thia-3-azaindene,

benzosulfonazole

Numbering system

CAS number:95-16-9

MDL number:MFCD00005775

EINECS number:202-396-2

RTECS number:DL0875000

BRN number:109468

PubChem number:24846538

Physical property data

1. Properties: slightly yellow liquid. Smells like quinoline. Can evaporate with water vapor.

2. Density (g/mL, 25/4℃): 1.246

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): Undetermined

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 101.99kPa): 227- 228

7. Refractive index: 1.6379

8. Flash point (ºC): >110

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturated vapor Pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Easily soluble in ethanol and carbon disulfide, slightly soluble in water. With neutral reaction.

Toxicological data

1. Skin/eye irritation

Standard Draize test: rabbit, skin contact: 500μL/24H, severity of reaction: mild.

Standard Draize test: rabbit, eye contact: 100μL/24H, severity of reaction: mild.

2. Acute toxicity: Rat oral LD50: 380mg/kg; Rat inhalation LC50: >1400mg/m3/6H; Rat intraperitoneal LD50: 1mg /kg; rat intravenous LD50: 200mg/kg; mouse oral LD50: 900mg/kg; mouse intraperitoneal LD50: 100mg/kg; mouse intravenous LD50: 95mg/kg; mouse LD50: 310mg/kg ; Cat intravenous LDLo: 100mg/kg; rabbit skin contact LDLo: 200mg/kg;

Ecological data

Slightly harmful to water.

Molecular structure data

1. Molar refractive index: 40.57

2. Molar volume (cm3/mol): 106.2

3. Isotonic specific volume (90.2K ): 288.4

4. Surface tension (dyne/cm): 54.2

5. Polarizability (10-24cm3): 16.08

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 41.1

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 105

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Avoid contact with oxides.

Storage method

Stored sealed in a cool, dry place. Make sure the workspace has good ventilation. Keep sealed. Keep away from sources of fire and store away from oxidizing agents.

Synthesis method

None

Purpose

Organic Synthesis. Rubber accelerator. Photographic materials. ​

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Benzothiophene

Benzothiophene structural formula

Structural formula

Physical competition number 028P
Molecular formula C8H6S
Molecular weight 134.20
label

benzothiophene,

thioindene,

benzo[b]thiophene,

thianaphthene,

Thianaphthene,

Thionaphthene

Numbering system

CAS number:95-15-8

MDL number:MFCD00005864

EINECS number:202-395-7

RTECS number:None

BRN number:80580

PubChem number:24847823

Physical property data

1. Properties: White leaf-shaped crystals. Has a naphthalene-like odor. Can evaporate with water vapor.

2. Density (g/mL, 25/4℃): 1.1484

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 32

5. Boiling point (ºC, normal pressure): 221

6. Boiling point (ºC, 5.2kPa): Undetermined

p>

7. Refractive index: 1.6374

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturated vapor pressure (kPa , 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15 .                                                                                                                                                                                                                              . ): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

p>

19. Solubility: Easily soluble in ethanol, soluble in ether, acetone and general organic solvents, insoluble in water. It turns cherry red when dissolved in concentrated sulfuric acid and disappears after heating.

Toxicological data

1. Acute toxicity: Rat oral LD50: 1700mg/kg

Rabbit transdermal LD5O: >2000mg/kg

Ecological data

This substance is harmful to the environment, and special attention should be paid to the pollution of water bodies.

Molecular structure data

1. Molar refractive index: 42.47

2. Molar volume (cm3/mol): 113.0

3. Isotonic specific volume (90.2K ): 294.2

4. Surface tension (dyne/cm): 45.9

5. Polarizability (10-24cm3): 16.84

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 28.2

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 101

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

It turns cherry red when dissolved in concentrated sulfuric acid and disappears after heating. Sulfonation reaction easily occurs. It turns light brown when exposed to light and air. Avoid contact with oxides.

Storage method

Stored sealed in a cool, dry place. Make sure the workspace has good ventilation. Keep sealed. Keep away from sources of fire and store away from oxidizing agents.

Synthesis method

In industry, it is mainly extracted from crude naphthalene. It can also be synthesized from styrene or ethylbenzene and hydrogen sulfide or produced by the condensation of thiophene and benzene rings.

Purpose

Manufacture of medicines and sulfur indigo. ​

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1H-benzotriazole

1H-benzotriazole structural formula

Structural formula

Physical competition number 028N
Molecular formula C7H5N3
Molecular weight 119.12
label

phenyltriazole,

1H-benzotriazole,

Benztriazole,

benzotriazepine,

Indyne,

benzotriazole,

1,2,-aminozophenylene,

1,2,3-triaza-1h-indene,

1,2,3-Benzotriazole,

BTA,

corrosion inhibitor,

Heterocyclic compounds

Numbering system

CAS number:95-14-7

MDL number:MFCD00005699

EINECS number:202-394-1

RTECS number:DM1225000

BRN number:112133

PubChem number:24847810

Physical property data

1. Properties: White to light brown needle-like crystals. Odorless. It oxidizes in the air and gradually turns red. Can explode when distilled in vacuum.

2. Density (g/mL, 25/4℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 98.5

5. Boiling point (ºC, normal pressure): 204

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): 170

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturated vapor pressure ( kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/ V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Soluble in ethanol, benzene, toluene, chloroform and dimethyl Formamide, slightly soluble in cold water. Insoluble in petroleum solvents.

Toxicological data

1. Acute toxicity: Rat oral LD50: 560mg/kg; Rat inhalation LD50: 1910mg/m3/24H; Rat skin contact LD50: >1mg/kg; Mouse oral LC: 615mg/kg; Mouse abdominal LC50: 400mg/kg; Mouse intravenous LC50: 238mg/kg; Rabbit skin contact LDLo: 450mg/kg; Guinea pig oral LD50: 500mg/kg;

2. Other multiple-dose toxicity: rat inhalation TDLo: 109mg/kg/26W-I;

3. Chronic toxicity/carcinogenicity

Rat Oral TDLo: 220mg/kg/78W-I; Mouse oral TDLo: 770mg/kg/78W-I;

4. Mutagenicity

Mutation of microorganism Salmonella typhimurium : 100μg/plate;

E. coli mutation: 33300μg/plate;

Rat embryonic morphological transformation: 94μg/plate;

5. Acute toxicity:

Oral LD50 560mg/kg(rat)

Skin LD50 615mg/kg(mus)

>2000mg/kg(rbt)

Inhalation LC50/4H 1400mg/m3/4H(rat)

Irritation to eyes severe 100mg(rbt)

Main irritating effects:

On the skin: General products will irritate the skin

On the eyes: Irritating effects

Sensitization: None Known sensitization

Ecological data

Slightly harmful to water. Strongly irritating to the eyes and moderately irritating to the skin.

Molecular structure data

1. Molar refractive index: 34.71

2. Molar volume (cm3/mol): 88.3

3. Isotonic specific volume (90.2K ): 259.0

4. Surface tension (dyne/cm): 73.9

5. Polarizability (10-24cm3): 13.76

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 2

6. Topological molecule polar surface area 41.6

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 92.5

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Avoid contact with oxides.

2. Toxic, oral MLD500mg/kg, intraperitoneal injection of LD501000mg/kg, intravenous injection of LD50238mg/kg in rats. The equipment should be sealed and operators should wear protective equipment.

Storage method

1. Store sealed in a cool, dry place. Make sure the workspace has good ventilation. Keep sealed. Keep away from sources of fire and store away from oxidizing agents.

2. Lined with plastic bags and packaged in wooden barrels, or in glass bottles. 500g per bottle, 20 bottles packed in a wooden box. “Light-proof” and “Sealed” are marked on the outside of the box. During storage and transportation, prevent moisture, sun protection, heat insulation, keep dry and well ventilated.

Synthesis method

1. Obtained from the reaction of o-phenylenetriamine and sodium nitrite. Add o-phenylenediamine to 50°C water to dissolve, then add glacial acetic acid, cool to 5°C, add sodium nitrite and stir the reaction. The reactant gradually turns dark green, the temperature rises to 70-80°C, and the solution turns orange. Leave it at room temperature for 2 hours, cool, filter out the crystals, wash with ice water, and dry to obtain a crude product. Distill the crude product under reduced pressure and collect 201 The fraction at -204°C (2.0kPa) is recrystallized with benzene to obtain a product with a melting point of 96-97°C, with a yield of about 80%. It has been reported that the by-product benzotriazole was obtained by treating the condensation wastewater of carbendazim with sodium nitrite.

2.O-phenylenediamine diazotization method. Diazotize o-phenylenediamine, and then cyclize it in acetic acid to obtain crude benzotriazole, which is then refined by recrystallization and vacuum dried to obtain a relatively pure benzotriazole.

3.O-phenylenediamine method The o-phenylenediamine method is the most classic method for synthesizing benzotriazole. Including o-phenylenediamine atmospheric pressure synthesis method and improved o-phenylenediamine high-pressure method.
①O-phenylenediamine normal pressure method: First dissolve o-phenylenediamine in acetic acid aqueous solution, and prepare about 40% sodium nitrite aqueous solution. The two solutions are pre-cooled to 1 to 5°C, mixed and reacted, and kept in an ice bath. Then the temperature is quickly raised to 80°C to close the ring to form benzotriazole. After cooling, filter and wash with water to obtain the crude product. Distill under an absolute pressure of 2000 Pa, collect fractions between 2.0 and 204°C, and crystallize with benzene to obtain the product, with a yield of 70% to 80%. Another production example is: add o-phenylenediamine to a 50°C aqueous solution to dissolve, then add glacial acetic acid, cool to 5°C, add sodium nitrite to stir the reaction, the reactant gradually turns dark green, and the temperature rises to 70~80°C. , the solution turns orange-red, leave it at room temperature for 2 hours, cool, filter out the crystals, wash with ice water, and dry to obtain a crude product; distill the crude product under reduced pressure, collect the fractions at 201~204°C (2.0kPa), and then recrystallize with benzene , a product with a melting point of 96 to 97°C can be obtained, with a yield of about 80%.

② The molar ratio of o-phenylenediamine and sodium nitrite in the o-phenylenediamine high-pressure method is 1: (1~1.05), the reaction temperature is 200~300℃, and the pressure is 4.8×106~6.9×106Pa. After the reaction is completed, adjust the pH value to 6 with acid. Since there is no acid involved in the diazotization ring-closure reaction, the chance of producing dark-colored tar from diazo coupling is reduced, thereby increasing the yield of the product and making the purification of the product easier. For example, o-phenylenediamine and 37% sodium nitrite aqueous solution, at a temperature of 260°C and a pressure of 3.0×106~3.3×106Pa.After reacting for 3 hours, cool and use concentrated sulfuric acid to adjust the Pa value from 11.7 to 6 to obtain benzotriazole with a purity of 100% and a yield of 96.9%.

4.Benzimidazolone method Benzimidazolone and sodium nitrite aqueous solution react at 190℃ and high pressure for 75 minutes. After acidification, water washing and drying, the product was obtained with a yield of 85.3%.

5.O-nitrophenylhydrazine method o-Nitrophenylhydrazine is in a mixed aqueous solution of ammonia, isopropyl alcohol and hexylene glycol, React at 140°C and high pressure for 1.5 hours to generate 1-hydroxybenzotriazole (HBTA). Use copper-chromium trioxide as a catalyst, introduce hydrogen and nitrogen in a ratio of 92:8, and perform a deoxygenation and hydrogenation reaction at 160 to 170°C and high pressure for 1 hour. HBTA is deoxygenated and hydrogenated to generate BTA, and finally benzotriazole is recovered. The rate is 89%. The reaction formula is as follows:


6.The o-nitrochlorobenzene method first directly synthesizes HBTA from o-nitrochlorobenzene and hydrazine hydrate, and then deoxygenates and hydrogenates Generate BTA, with the highest overall yield reaching 8.6%. The advantages of this method are high yield and few intermediate links. It is a promising and important method.

Purpose

1. When combined with ammonium hydroxide and ethylenediaminetetraacetic acid, it can selectively determine silver, copper, and zinc. Photographic anti-fogging agent. Photographic inhibitors. Organic Synthesis.

2.Benzotriazole has an anti-corrosion effect on metal materials such as copper, aluminum, cast iron, nickel, and zinc. It can be used with a variety of corrosion inhibitors, such as chromate, polyphosphate, molybdate, silicate, nitrite, ATMP, HRDP, EDTMP, etc., to improve the corrosion inhibition effectFruit. It has excellent corrosion inhibition effect in closed circulation cooling water system. It can be used in conjunction with a variety of scale inhibitors and bactericidal algaecides. Benzotriazole does not interfere with the corrosion inhibition effect of polyphosphate and has strong resistance to oxidation. However, when it exists at the same time as free chlorine, it loses its corrosion inhibition effect on copper, and after the disappearance of chlorine, its corrosion inhibition effect is restored. Its usage concentration is generally 1 to 2 mg/L, and its corrosion inhibition effect is very good in the pH range of 5.5 to 10, but when the pH value is low The corrosion inhibition effect is reduced in the medium.

3.Added into epoxy resin adhesive to prevent corrosion and blackening of copper and its alloys. The reference dosage is 0.2%~0.5%. For water-soluble adhesives, the adding amount is 0.005% to 0.1%. It is also widely used as anti-rust agent for copper, silver, zinc, aluminum, cast iron and other metals, water purifier, anti-fogging agent in the photographic industry, ultraviolet absorber, paint additive, preservative for synthetic detergents, anticoagulant, lubrication Oil additives, synthetic dye intermediates, polymer material stabilizers, plant growth regulators, anti-discoloration agents, gas phase corrosion inhibitors, antistatic and automotive antifreeze additives, etc.

4.Widely used for corrosion inhibition and rust prevention of copper and silver equipment. It can also be used for the preparation of photographic anti-fog, anti-fog, and gas-phase rust inhibitors.

5.Benzotriazole does not interfere with the corrosion inhibition effect of polyphosphate and has strong resistance to oxidation. . However, when it exists with free chlorine at the same time, it loses its corrosion inhibition effect on copper. After the chlorine disappears, its corrosion inhibition effect is restored. This is a property that MBT cannot have.

6.Used as metal anti-rust and corrosion inhibitor, anti-tarnish agent for copper and silver, and photographic anti-fogging agent.

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3,4-Dichlorobenzoic acid

3,4-Dichlorobenzoic acid structural formula

Structural formula

Physical competition number 014V
Molecular formula C7H4Cl2O2
Molecular weight 190
label

3-4-Dichlorobenzoic acid,

herbicide

Numbering system

CAS number:51-44-5

MDL number:MFCD00002492

EINECS number:200-099-2

RTECS number:DG7175000

BRN number:2044777

PubChem number:24862562

Physical property data

1. Properties: White crystal.

2. Density (g/mL, 25/4℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 208.5

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturated vapor Pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Undetermined

Toxicological data

1. Acute toxicity: mouse subcutaneous LD50: 400mg/kg

Ecological data

None

Molecular structure data

1. Molar refractive index: 42.97

2. Molar volume (cm3/mol): 125.8

3. Isotonic specific volume (90.2K ): 341.1

4. Surface tension (dyne/cm): 53.9

5. Polarizability (10-24cm3): 17.03

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 37.3

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 161

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

�Quality and stability

None

Storage method

Seal and store in a cool place away from light.

Synthesis method

None

Purpose

Used as an intermediate in organic synthesis

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indene

Indene Structural Formula

Structural formula

Physical competition number 028M
Molecular formula C9H8
Molecular weight 116.16
label

1H-indene,

benzocyclopropene,

1H-Indene,

Indonaphthene,

Technical indene,

paint solvents,

Indene resin synthesis

Numbering system

CAS number:95-13-6

MDL number:MFCD00003777

EINECS number:202-393-6

RTECS number:NK8225000

BRN number:635873

PubChem number:24851616

Physical property data

1. Properties: colorless and transparent oily liquid

2. Density (g/mL, 20/4℃): 0.9960

3. Relative density (g/mL, 50/4℃): 0.9692

4. Melting point (ºC): -2

5. Boiling point (ºC, normal pressure): 182.44

6. Refractive index (18.5ºC): 1.5773

7. Refractive index (n20ºC): 1.5764

8. Flash point (ºC): 58

9. Dissolution Properties: Insoluble in water, soluble in ethanol, ether, acetone, benzene, pyridine and other organic solvents.

10. Relative density (25℃, 4℃): 0.9949

11. Refractive index at room temperature (n25): 1.5737

12. Solubility parameter (J·cm-3)0.5: 20.467

13. van der Waals area (cm2 ·mol-1): 7.930×109

14. van der Waals volume (cm3·mol-1): 68.890

15. Gas phase standard combustion heat (enthalpy) (kJ·mol-1): -4848.3

16. Gas phase standard claimed heat (enthalpy) (kJ·mol-1): 163.4

17. Gas phase standard entropy (J·mol– 1·K-1): 334.04

18. Gas phase standard free energy of formation (kJ·mol-1): 235.1

19. Gas phase standard hot melt (J·mol-1·K-1): 124.31

20. Liquid phase Standard heat of combustion (enthalpy) (kJ·mol-1): -4795.5

21. Liquid phase standard claims heat (enthalpy) (kJ·mol-1): 110.6

22. Liquid phase standard entropy (J·mol-1·K-1): 214.18

23. Liquid phase standard free energy of formation (kJ·mol-1): 217.8

24. Liquid phase standard hot melt (J·mol-1 ·K-1): 186.94

Toxicological data

1. Acute toxicity: rat inhalation LC50: 14mg/m3; rat LD50: 2300mg/kg; mouse LD50: 1800mg/kg; mammal oral LD50: >5mg /kg;

2. Multiple dose toxicity: rats inhaled TCLo: 3mg/ m3/24H/15W-C; 3. It is of low toxicity. It has an irritating effect on skin and mucous membranes. High-concentration exposure can cause liver,Damage to spleen, kidneys, lungs and other organs. The olfactory threshold concentration is 0.001 mg/L, and the maximum allowable concentration in the workplace is 45 mg/m3 (USA).

Ecological data

It is not harmful to water.

Molecular structure data

1. Molar refractive index: 38.03

2. Molar volume (cm3/mol): 111.8

3. Isotonic specific volume (90.2K ): 284.8

4. Surface tension (dyne/cm): 42.1

5. Dielectric constant: 2.77

6. Dipole moment (10- 24cm3): no use

7. Polarizability: 15.07

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 124

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. This product is flammable and may burn when exposed to high temperatures. It is easily oxidized in the air and can form polymers when exposed to air and sunlight. Avoid contact with oxides and light.

2.Rat can tolerate six repeated inhalations of 3.8~4.2 mg/L of this product without visible symptoms of poisoning. The maximum allowable concentration in the air in the workplace is 240mg/m3.

3. Exist in smoke.
 

Storage method

1. Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. Keep away from fire sources and prevent static electricity. The packaging is sealed. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills. 2. This product is flammable. There is a risk of burning when exposed to open flames or high heat. It should be stored in a cool, well-ventilated warehouse away from heat sources and fires. It should be stored separately from oxidants. Pack and unload with care, and keep the packaging intact. It should not be stored for a long time to prevent deterioration.
3. Can polymerize and oxidize during storage.

Synthesis method

In high-temperature tar, the indene content is 0.25%-0.3%. It mainly exists in coal tar and crude benzene fractions with boiling points of 168-175°C. In heavy benzene before 200°C, coumaron and indene account for about More than 40%. Heavy benzene is used as raw material for rectification on a fractionation tower with 44 theoretical plates. The reflux ratio is controlled to 15-20:1, and a fraction with a tower top temperature of 180.6-181.1°C is cut, and the indene content can reach 98%. Another method of extracting indene is to use heavy benzene and crude solvent oil as raw materials, and use furfural as an azeotropic agent for azeotropic distillation. Since furfural or formaldehyde can form an azeotrope with the hydrocarbon components in heavy benzene, but does not form an azeotrope with indene, pure products can be produced.

Use heavy benzene as raw material for rectification on a fractionation tower with 44 theoretical plates, control the reflux ratio to 15-20:1, and cut the fraction with a top temperature of 180.6-181.1°C, containing indene Up to 98%.

Tetralin can also be produced by passing SiO2/A12O3 at high temperatures.

Purpose

Except for a small amount of intermediates used in organic solvents and pesticides, it is mainly used in the production of indene-coumarone resin. It can be mixed with other liquid hydrocarbons as coating solvents.

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L-adrenaline

L-adrenaline structural formula

Structural formula

Physical competition number 014U
Molecular formula C9H13NO3
Molecular weight 183.2
label

(R)-Adrenaline,

1-(3,4-dihydroxyphenyl)-2-methylaminoethanol,

3,4-Dihydroxy-α-(methylaminomethyl)benzyl alcohol L-epinephrine,

L(-)-adrenaline,

Renal parabase,

(R)-(−)-3,4-Dihydroxy-α-(methylaminomethyl)benzyl alcohol,

Epinephrine,

Adnephrin,

Epifrina,

Suprarenine,

Sus-Phrine,

Tonogen,

Vaponefrin,

Enzymes·Proteins·Peptides

Numbering system

CAS number:51-43-4

MDL number:MFCD00002204

EINECS number:200-098-7

RTECS number:DO2625000

BRN number:2368277

PubChem number:24894545

Physical property data

1. Properties: White crystalline powder.

2. Density (g/mL, 25/4℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 211-212

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º, C= 2, in 0.6mol/L hydrochloric acid): -50~-53.5

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturated vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Easily soluble in mineral acid and alkali hydroxide solution, slightly soluble in water, insoluble in alcohol, ether, acetone, and chloroform. Odorless and bitter. The color gradually becomes darker when exposed to air and light.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 49.33

2. Molar volume (cm3/mol): 142.6

3. Isotonic specific volume (90.2K ): 397.0

4. Surface tension (dyne/cm): 59.9

5. Polarizability (10-24cm3): 19.55

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 4

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: 10

6. Topological molecule polar surface area 72.7

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 154

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 1

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

Seal with nitrogen and store in a cool, dark place.

Synthesis method

1.3,4-Dihydroxy-α-methylaminoacetophenone (i.e. renal ketone) is formulated into hydrochloride, and hydrogenation reaction is carried out under palladium catalysis. The hydrogenation temperature is 30-35α and the pressure is 0.05-0.1MPa. The obtained racemic epinephrine is separated with tartaric acid and neutralized with ammonium hydroxide to obtain L-adrenaline.

2.Extraction, isolation and purification from the adrenal medulla of domestic animals.

3.Artificial synthesis

Purpose

1. Non-steroidal hormone drugs are also used as intermediates for the hemostatic drug Anluoxue. Mainly used for the rescue of anaphylactic shock, bronchial asthma and cardiac arrest

2.Adrenoceptor agonist. Used for relieving bronchial asthma, rescuing anaphylactic shock, compatibility with local anesthetics and local hemostasis, urticaria, hay fever, serum reactions and other allergic diseases, glaucoma, etc.

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epinephrine tartrate

Structural formula of epinephrine tartrate

Structural formula

Physical competition number 014T
Molecular formula C13H19NO9
Molecular weight 333.29
label

L-3,4-dihydroxy-alpha-((methylamino)methyl)benzyl alcohol D-bitartrate,

C9H13NO3·C4H6O6

Numbering system

CAS number:51-42-3

MDL number:MFCD00035077

EINECS number:200-097-1

RTECS number:DO3500000

BRN number:None

PubChem number:24277774

Physical property data

1. Characteristics: white crystalline powder. No odor and bitter taste.


2. Density (g/mL,25/4): Undetermined


3. Relative vapor density (g/mL,AIR=1): Undetermined


4. Melting point (ºC):147 -152


5. Boiling point (ºC,Normal pressure): Undetermined


6. Boiling point (ºC,5.2kPa): Undetermined


7. Refractive Index: Undetermined


8. Flashpoint (ºC): Undetermined


9. Specific optical rotation (ºC=1, in water):-17


10. Autoignition point or ignition temperature (ºC): Undetermined


11. Vapor pressure (kPa,25ºC): Undetermined


12. Saturated vapor pressure (kPa,60ºC): Undetermined


13. Heat of combustion (KJ/mol): Undetermined


14. Critical temperature (ºC): Undetermined


15. Critical pressure (KPa): Undetermined


16. Oil and water (octanol/Log value of the partition coefficient of water:


17. Explosion limit (%,V/V): Undetermined


18. Lower explosion limit (%,V/V): Undetermined


19. Solubility: soluble in water and ethanol, almost insoluble in chloroform and ether.

Toxicological data

1, acute toxicity: Rat subcutaneous LD50: 8300 ug/kg; rat intravenous LD50 : 82 ug/kg; mouse oral LD50: 4mg/kg; Mouse abdominal cavity LD50: 7800ug/kg;
Mouse subcutaneousLD50: 11100 ug/kg; Mouse vein LD50: 1780ug/kg; Frog parenteral LDLo: 800mg/kg
2 , and many others Metric toxicity: Rat subcutaneous TDLo: 76mg/kg/42D-I

3 Reproductive toxicity: Male small Mouse subcutaneous TDLo: 2400ug/kg, mated two days ago


4, mutagenicity: inhibitionTEST system of DNA: Rodent Mouse cells not otherwise specified: 1umol/L

Ecological data

None

Molecular structure data

None

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP):


2. Number of hydrogen bond donors: 8


3. Number of hydrogen bond acceptors: 10


4. Number of rotatable chemical bonds: 6


5. Number of tautomers: 10


6. Topological molecular polar surface area (TPSA):188


7. Number of heavy atoms: 23


8. Surface charge: 0


9. Complexity: 288


10. Number of isotope atoms: 0


11. Determine the number of atomic stereocenters: 3


12. The number of uncertain atomic stereocenters: 0


13. Determine the number of stereocenters of chemical bonds: 0


14. Uncertain number of chemical bond stereocenters: 0


15, Number of covalent bond units: 2

Properties and stability

None

Storage method

Seal and store in a dark place.

Synthesis method

None

Purpose

Biochemical research.

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