Pu catalyst – Page 81

tuberculin

Structural formula

Business number	01FM
Molecular formula	C11H14N4O4
Molecular weight	265.25
label	7-Deazadenosine, 7-.beta.-D-ribofuranosyl-7H-pyrrolo-[2,3-d]pyrimidin-4-amine, 4-Amino-7.beta.-D-ribofuranosyl-7H-pyrrolo(2,3-d)pyrimidine, Genetic engineering research reagents

Numbering system

CAS number:69-33-0

MDL number:MFCD00056012

EINECS number:200-703-4

RTECS number:UY8870000

BRN number:38498

PubChem number:24899902

Physical property data

1. Character:White needle crystal

2. Density (g/mL,25/4℃): Unsure

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

4. Melting point (ºC):247～248℃ (decomposition)

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

6. Boiling point (ºC, 5.2kPa): Unsure

7. Refractive index:Not sure

8. Flash Point (ºC): Unsure

9. Specific optical rotation (º):-67 º, c=1,50%acetic acid

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

11. Vapor pressure (kPa,25ºC): Unsure

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

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

14. Critical temperature (ºC): Unsure

15. Critical pressure (KPa): Unsure

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

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

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

19. Solubility:1gsoluble in330mlWater, 200mlMethanol and2000mlIn ethanol, insoluble in acetone , ethyl acetate, chloroform, benzene and petroleum ether

Toxicological data

Acute toxicity: Rat oral LD50: 16 mg/kg; Rat abdominal cavity LD50 : 1 mg/kg;

Mouse oral LD50: 28320 ug/kg; mouse abdominal cavity LD50: 6 mg/kg;

Mouse veinLD50: 45 ug/kg; Dog oral LDLo：48 mg/kg; Dog VeinLDLo: 48 mg/kg;
Mutagenic: mouse leukocytesDNA Suppress test system:5400 ug/L;Mouse leukocyte change test system: 290 ug/L;
Mouse abdominal cavityDominant lethal test：500 ug/kg;Rabbit KidneyDNA Suppression test system:18ug/L;
Rabbit KidneyDNAChange test system (test system not unless otherwise specified):30 ug/L;

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 61.51

2. Molar volume (m³/mol）：139.5

3. isotonic specific volume (90.2K):431.6

4. Surface Tension (dyne/cm):91.5

5. Polarizability（10^-24cm³): 24.38

Compute chemical data

1. Hydrophobic parameters Calculate reference value (XlogP）：-1.3

2. Hydrogen Bonding Number of donors: 4

3. Hydrogen Bonding Number of receptors: 7

4. Rotatable Number of chemical bonds: 2

5. Interchange Number of isomers: 4

6. Topological molecular polarity Surface area (TPSA): 127

7. Heavy atoms Quantity: 19

8. Surface charge ：0

9. Complexity ：334

10. Isotope atomic number:0

11. Determine the number of atomic stereocenters:4

12. Uncertain number of 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: 1

Properties and stability

None

Storage method

This product should be sealed and stored in a cool, dry place.

Synthesis method

None

Purpose

To Mycobacterium tuberculosisBCGMinimum inhibitory concentration MICLess than1μg/ml, 5μg/mlSuppress miceNFSarcoma cells, inhibit sarcoma in animals180, Ehrlich ascites carcinoma is also responsible for Pyroplasma oryzae and Candida albicans There is a weak inhibitory effect.

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Benzo(a)pyrene

Structural formula

Business number	013H
Molecular formula	C20H12
Molecular weight	252.31
label	Benzo[A]pyrene, Benzo(a)pyrene, 3,4-benzopyrene, Benzopyrene, 1,2-benzopyrene, Benzopyrene standard, Benzo(A)pyrene (standard sample), 3,4-Benzopyrene, Benzo[def]chrysene, 1,2-Benzopyrene, Aromatic hydrocarbons

Numbering system

CAS number:50-32-8

MDL number:MFCD00003602

EINECS number:200-028-5

RTECS number:DJ3675000

BRN number:1911333

PubChem number:24891610

Physical property data

1. Properties: yellow to brown powder.

2. Density (g/mL, 25/4℃): 1.286

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

4. Melting point (ºC): 177-180

5. Boiling point (ºC, normal pressure): 495

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

7. Refractive index: Undetermined

8. Flash point (ºC): 495°C

9. Specific rotation (º): Undetermined

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

11. Vapor pressure (kPa, 25 ºC): 0.665×10-19 kPa

12. Saturated vapor pressure (kPa, 60 ºC): 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: Insoluble in water , slightly soluble in ethanol, methanol, soluble in benzene, toluene, xylene, chloroform, ether, acetone, etc.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 90.30

2. Molar volume (cm³/mol): 196.0

3. Isotonic specific volume (90.2K ): 553.5

4. Surface tension (dyne/cm): 63.4

5. Polarizability (10-24cm3): 35.80

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: 20

8. Surface charge: 0

9. Complexity: 372

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

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. They should be stored separately from oxidants and food chemicals, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills. The “five pairs” management system for extremely toxic substances should be strictly implemented.

Synthesis method

None

Purpose

1. Histochemical determination of lipids (blue or blue-white fluorescence, fades quickly, cannot be used as a permanent specimen). Cancer research.

2. Often used as a pollution indicator substance for carcinogenic polycyclic aromatic hydrocarbons in the environment.

3. It has no production or use value in industry and is generally only discharged with waste as a by-product formed during the production process.

4. Used to calibrate instruments and devices.

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Chloroisoindolium ammonium diiodide

Structural formula

Business number	01FL
Molecular formula	C34H20N2Cl4I2
Molecular weight	611.95
label	Chloroisoindolyl ammonium chloride, Indolinium tetrachloride, Soundalonium chloride

Numbering system

CAS number:69-27-2

MDL number:None

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Characteristics: white solid

2. Density (g/mL,25/4℃): Unsure

3. Relative vapor density (g/mL,Air=1): Unsure

4. Melting point (ºC): Unsure

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

6. Boiling point (ºC, 5.2kPa): Unsure

7. Refractive index:Not sure

8. Flash point (ºC): Unsure

9. Specific optical rotation (º): Unsure

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

11. Vapor pressure (kPa,25ºC): Unsure

12. Saturated vapor pressure (kPa,60��C): Unsure

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

14. Critical temperature (ºC): Unsure

15. Critical pressure (KPa): Unsure

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

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

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

19. Solubility:H₂O: ~3.75 mg/mL

Toxicological data

Acute toxicity: Rat oral LD50: 300 mg/kg; Rat intravenous LD50 ：28 mg/kg；

Mouse oral LD50: 380 mg/kg; Mouse abdominal cavityLD50：62 mg/kg;
Mouse subcutaneous injection LD50: 240 mg/kg; mouse intravenous LD50 SPAN>：28 mg/kg;

Ecological data

None

Molecular structure data

None

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: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 22

8. Surface charge: 0

9. Complexity: 336

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: 3

Properties and stability

None

Storage method

This product should be sealed and stored in a cool, dry place.

Synthesis method

None

Purpose

For biochemical research and organic synthesis.

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2,6-Dichlorobenzoic acid

Structural formula

Business number	013G
Molecular formula	C7H4Cl2O2
Molecular weight	191.01
label	2,6-Dichlorobenzoic acid, 2,6-Dichlorobenzoic acid, Cl2C6H3CO2H

Numbering system

CAS number:50-30-6

MDL number:MFCD00002418

EINECS number:200-025-9

RTECS number:DG7000000

BRN number:973858

PubChem number:24893961

Physical property data

1. Properties: White to slightly yellow powder or needle-like crystals

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

3. Relative steam Density (g/mL, air=1): Undetermined

4. Melting point (ºC): 144°C (lit.)

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

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

7. Refractive index: Undetermined

8. Flash point (ºC) : Undetermined

9. Specific optical rotation (º): Undetermined

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

11 . Vapor pressure (kPa, 25 ºC): Not determined

12. Saturation vapor pressure (kPa, 60 ºC): Not determined

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 distribution coefficient (water): Undetermined

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

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

19. Solubility: Soluble in ethanol, ether, acetone, fluoroform. Water solubility 0.1-1 g/100 mL at 19 ºC

Toxicological data

1. Acute toxicity: mouse subcutaneous LD50: 1500mg/kg; mouse abdominal LD50: 316mg/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. Hydrophobic parameter calculation reference value (XlogP): 2.2

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:

6. Topological molecular polar surface area (TPSA): 37.3

7、 Number of heavy atoms: 11

8, Surface charge: 0

9, Complexity: 151

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

This product should be sealed and stored in a dry place away from light.

Synthesis method

None

Purpose

Synthetic medicines and pesticides.

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Fluphenazine

Structural formula

Business number	01FK
Molecular formula	C22H26F3N3OS
Molecular weight	437.52
label	fluphenazine, Hydroxyflupromazine, flupheperazine, guitarmycin

Numbering system

CAS number:69-23-8

MDL number:None

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Character: dark brown viscous oil

2. Density (g/mL, 25/4℃): Uncertain

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

4. Melting point (ºC): 225~227 (decomposition).

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

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

7. Refractive index: Uncertain

8. Flash point (ºC): Uncertain

9. Specific rotation (º): Uncertain

10. Autoignition point or ignition Combustion temperature (ºC): Uncertain

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

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

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

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. The logarithmic value of the oil-water (octanol/water) partition coefficient: Uncertain

17. The upper limit of explosion (%, V/V): Uncertain

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

19. Solubility: Easily soluble in water, slightly soluble in methanol, slightly soluble in ethanol and chloroform, almost insoluble in benzene and Ether. Hygroscopic

Toxicological data

Acute toxicity: Rat intraperitoneal LD50: 100 mg/kg; Rat subcutaneous injection LD50: 640 mg/kg; Mouse oral LD50: 220 mg/kg; Mouse intraperitoneal LD50: 89 mg/kg; Mouse intravenous LD50: 51 mg/kg; Breeding: Rat oral TDLo: 62 mg/kgSEX/DURATION: female 9 day(s) pre-mating female 1-22 day(s) after conception; Rat oral TDLo: 18 mg/kgSEX /DURATION: female 9 day(s) pre-mating;

Ecological data

None

Molecular structure data

1. Molar refractive index: 114.30

2. Molar volume (cm³/mol): 343.8

3. Isotonic specific volume (90.2K ): 885.9

4. Surface tension (dyne/cm): 44.0

5. Polarizability (10-24cm3): 45.31

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: 8

4. Number of rotatable chemical bonds: 6

5. Number of tautomers: none

6. Topological molecule polar surface area 55.2

7. Number of heavy atoms: 30

8. Surface charge: 0

9. Complexity: 544

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

This product should be stored in an airtight container away from light.

Synthesis method

It is produced by alkylation of hydroxyethylpiperazine and bromochloropropane and then condensation with 2-trifluoromethylphenothiazine to form a salt. It can also be obtained by condensation, elimination, cyclization, etc. of m-trifluoromethylaniline.

Purpose

Antipsychotics. It is clinically used for catatonic and paranoid schizophrenia, and is more effective than chlorpromazine for chronic schizophrenia. Preparations include tablets and injections

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Chlopromazine hydrochloride

Structural formula

Business number	01FJ
Molecular formula	C17H20Cl2N2S
Molecular weight	355.34
label	2-Chloro-10-(3-dimethylaminopropyl)phenothiazine hydrochloride, hibernation spirit, Colagent, Chlorpromazine, aminazine, chlorpromazine, Chlorpromazine hydrochloride, Hibernating phosphorus, C17H19ClN2S·HCl

Numbering system

CAS number:69-09-0

MDL number:MFCD00012654

EINECS number:200-701-3

RTECS number:200-701-3

BRN number:3779989

PubChem number:24277891

Physical property data

1. Character:White or milky white crystalline powder, hygroscopic, slightly odorous, extremely bitter in taste, easily oxidized in air or Gradates to reddish brown in sunlight

2. Density (g/mL,25/4℃): Unsure

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

4. Melting point (ºC):179-180℃（ 194-196℃ ).

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

6. Boiling point (ºC, 5.2kPa): Unsure

7. Refractive index:Not sure

8. Flash point (ºC): Unsure

9. Specific optical rotation (º): Unsure

10. Autoignition point or ignition temperature (ºC): No��determined

11. Vapor pressure (kPa,25ºC): Unsure

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

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

14. Critical temperature (ºC): Unsure

15. Critical pressure (KPa): Unsure

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

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

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

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

Toxicological data

None

Ecological data

None

Molecular structure data

None

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: 3

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 31.8

7. Number of heavy atoms: 22

8. Surface charge: 0

9. Complexity: 339

10. Isotopic origin�Quantity: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine chemical bonds Number of stereocenters: 0

14. Number of stereocenters of uncertain chemical bonds: 0

15. Number of covalent bond units: 2

Properties and stability

None

Storage method

Keep it sealed and protected from light.

Synthesis method

By2-Chlorophenothiazine[92-39-7]Condensation and salt formation. 1.Condensation in reaction Add 2- Chlorophenothiazine and toluene, then add sodium hydroxide, stir and heat to reflux, remove moisture, and in 110℃ dripping1-Chlorine-3-Toluene solution of dimethylaminopropane, the reactant is decompressed to recover toluene to obtain chlorpromazine,C17H19CIN2S,[50-53-3]. 2.Salt Stir and heat chlorpromazine and isopropyl alcohol until 40℃, access dry hydrogen chloride to pH 4-5, and the chlorpromazine hydrochloride is obtained as a salt.

Purpose

has central stabilizing, antiemetic, anticonvulsant, anti- Adrenaline and other effects. Used to treat schizophrenia and mania. Anxiety disorders, mental disorders, nausea, vomiting, etc. It can also be used for artificial hibernation and low-temperature anesthesia.

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DDT

Structural formula

Business number	013F
Molecular formula	C14H9Cl5
Molecular weight	354.49
label	4,4′-DDT, DDT powder, 1,1,1-Trichloro-2,2-bis(p-chlorophenyl)ethane, 2,2-bis(p-chlorophenyl)-1,1,1-trichloroethane, 1,1,1-Trichloro-2,2-bis(p-chlorophenyl)ethane, 1,1-bis(4-chlorophenyl)2,2,2-trichloroethane, 4,4′-DDT, Agritan, Azotox, Bovidermol, Clofenotan, Deoval, Detox, Detoxan, Dibovin, Dicophane, Dodat, Organochlorine pesticides

Numbering system

CAS number:50-29-3

MDL number:MFCD00000802

EINECS number:200-024-3

RTECS number:KJ3325000

BRN number:1882657

PubChem number:24864083

Physical property data

1. Properties: The pure product is white crystal, and the industrial product is white granular or light yellow block containing oil

2. Density (g/mL, 25/4℃): 1.55

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

4. Melting point (ºC): 107-110 °C (lit.)

5. Boiling point (ºC, normal pressure): 260℃

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

7. Refractive index: Undetermined

8. Flash point (ºC): 72 °C

9. Specific rotation (º): Undetermined

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

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

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

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

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. The logarithmic value of the oil-water (octanol/water) partition coefficient: Undetermined

17. The upper limit of explosion (%, V/V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined 19. Solubility: Easily soluble in pyridine and dioxane. �The solubilities in 100ml of solvent are: acetone 58g, carbon tetrachloride 45g, chlorobenzene 74g, ethanol 2g, and ether 28g. Insoluble in water, dilute acids and alkalis

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 84.50

2. Molar volume (cm³/mol): 244.1

3. Isotonic specific volume (90.2K ): 638.9

4. Surface tension (dyne/cm): 46.8

5. Polarizability (10-24cm3): 33.50

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: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 19

8. Surface charge: 0

9. Complexity: 250

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

50% gel suspension, 2kg plastic bottle, plus carton, net weight 20kg per box. Contact with alkaline substances should be avoided, stored in a cool place, and the packaging equipment should be sealed to prevent fire.

Synthesis method

It is derived from the condensation of trichloroacetaldehyde and monochlorobenzene in the presence of fuming sulfuric acid. Put trichloroacetaldehyde and chlorobenzene into the condensation pot, and add fuming sulfuric acid dropwise while stirring. The condensed material is allowed to stand for stratification, and the waste acid is discharged. The acidic DDT-chlorobenzene solution is washed with hot water and then with sodium hydroxide solution. Then the chlorobenzene is recovered by distillation, and the residue, namely molten DDT, is placed in a drum crystallizer for cooling and crystallization to obtain the finished product. The condensation reaction is carried out at 10-23°C. During the condensation, the waste acid produced by the condensation reaction (including p-chlorobenzenesulfonic acid generated by the side reaction) is added at the same time, or the side reaction is suppressed to reduce the amount of p-chlorobenzenesulfonic acid generated, and sulfuric acid is added dropwise. The time is about 2.5h. The para-position content of first-grade DDT raw powder is ≥74.0%.

Purpose

DDT was once one of the widely used pesticides. It has stomach poisoning and contact effects, and can be processed into powder, emulsion or oil. In our country, it was mainly used to control cotton bud and boll-stage pests, fruit tree borers, field crop armyworms, vegetable cabbage caterpillars, etc. It is also used for environmental sanitation and prevention of mosquitoes, flies, bed bugs, etc. DDT is not easily degraded into non-toxic substances, and it can easily accumulate during use and pollute the environment. DDT remaining in plants can enter the bodies of humans and animals through the “food chain” or other ways, causing poisoning and affecting human health. Its use is currently prohibited. However, some industrial uses of DDT, including pesticides using it as raw material, also require DDT as an intermediate, such as dicofol.

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Miparin dihydrochloride

Structural formula

Business number	01FH
Molecular formula	C23H32Cl3N3O
Molecular weight	472.88
label	malaria flat, Quinacine dihydrochloride, malaria diping, Miparin hydrochloride, Adipine dihydrochloride, Quinacine dihydrochloride, Quinacrine

Numbering system

CAS number:69-05-6

MDL number:MFCD00012659

EINECS number:200-700-8

RTECS number:AR7875000

BRN number:4834013

PubChem number:24278192

Physical property data

1. Characteristics: bright yellow Crystalline powder. Odorless. Bitter taste. Hygroscopic. Sensitive to light.

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

3. Relative vapor density ( g/mL,Air =1): Not OK

4. Melting point (ºC): 248～250℃ (decomposition)

5. Boiling point (ºC,Normal pressure): Not OK

6. Boiling point (ºC,5.2kPa): Not OK

7. Refractive index: Undetermined

8. Flashpoint (ºC): Undetermined

9. Specific optical rotation ( º): Undetermined

10. Spontaneous ignition point or ignition Combustion temperature (ºC) : Undetermined

11. Vapor pressure (kPa,25ºC): Not OK

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

13. Heat of combustion (KJ/mol): Not OK

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol /Water) distribution coefficient The logarithmic value of : undetermined

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

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

19. Solubility: 1gProduct dissolves in approx.35mlWater, more soluble In hot water, slightly soluble in ethanol and methanol, insoluble in ether, benzene and acetone. 1%Aqueous solutionpHapproximately4.5. Under ultraviolet light, the yellow aqueous solution can display bright fluorescence.

Toxicological data

None

Ecological data

None

Molecular structure data

None

Compute chemical data

1. Number of hydrogen bond donors:3

2. Hydrogen Bonding Number of receptors: 4

3. Rotatable Number of chemical bonds: 9

4. Interchange Number of isomers: 2

5. Topological molecules Polar surface area (TPSA）：37.4

6. Heavy atoms Quantity: 30

7. Surface charge:0

8. Complexity ：461

9. Isotope atomic number:0

10. Determine the number of atomic stereocenters:0

11. Uncertain number of atomic stereocenters:1

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

13. Uncertain number of chemical bond stereocenters:0

14. Number of covalent bond units: 3

Properties and stability

None

Storage method

This product should be sealed, dry and protected from light.

Synthesis method

None

Purpose

Organic synthesis. Biochemical research. For microscope use. Pharmaceutical antimalarial and antiparasitic drugs.

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17α-hydroxyprogesterone

Structural formula

Business number	01FG
Molecular formula	C21H30O3
Molecular weight	330.46
label	17α-Hydroxyprogesterone, 17α-hydroxypregnant-4-ene-3,20-dione, Hydroxyprogesterone, Pregnant-4-en-17α-ol-3,20-dione, 17hydroxyprogesterone, 17α-Hydroxyprogesterone, 17α-Hydroxypregnenedione, 17-hydroxypregnanthin, 4-Pregnen-17α-ol-3,20-dione, 17α-Hydroxy-4-pregnene-3,20-dione

Numbering system

CAS number:68-96-2

MDL number:MFCD00003659

EINECS number:200-699-4

RTECS number:TU5060000

BRN number:3218109

PubChem number:24278469

Physical property data

1. Character: White diamond-shaped or hexagonal leaf-shaped crystals. 2. Density (g/mL, 25/4℃): Uncertain

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

4. Melting point (ºC): 221℃ ( 219-220℃). 5. Boiling point (ºC, normal pressure): Uncertain

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

7. Refractive index: 90 ° (C=1, CHCl3)

8. Flash point (ºC): Uncertain

9. Specific rotation (º): Uncertain

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

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

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

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

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. The logarithmic value of the oil-water (octanol/water) partition coefficient: Uncertain

17. The upper limit of explosion (%, V/V): Uncertain

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

19. Solubility: Easily soluble in ethanol and ether, soluble in benzene, insoluble in water.

Toxicological data

Reproduction: Female intramuscular TDLo: 65 mg/kgSEX/DURATION: female 8-32 week(s) after conception; Rabbit subcutaneous injection TDLo: 5 mg/kgSEX/DURATION: female 1 day(s) pre-mating;

Ecological data

None

Molecular structure data

1. Molar refractive index: 92.52

2. Molar volume (cm³/mol): 286.0

3. Isotonic specific volume (90.2K ): 747.2

4. Surface tensionForce (dyne/cm): 46.5

5. Polarizability (10-24cm3): 36.67

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: 3

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 10

6. Topological molecule polar surface area 54.4

7. Number of heavy atoms: 24

8. Surface charge: 0

9. Complexity: 635

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 6

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

This product should be kept sealed.

Synthesis method

None

Purpose

For biochemical research. Preparation of progesterone derivatives.

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N-acetyl-L-proline

Structural formula

Business number	01FF
Molecular formula	C7H11NO3
Molecular weight	157.18
label	N-Acetyl-L-proline, 1-Acetyl-L-proline, Acetyl-L-proline, Nalpha-Acetyl-L-proline

Numbering system

CAS number:68-95-1

MDL number:MFCD00020837

EINECS number:200-698-9

RTECS number:None

BRN number:83200

PubChem number:24890453

Physical property data

1. Appearance: White needle-like crystal

2. Density (g/mL, 25/4℃): Uncertain

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

4. Melting point (ºC): 115-117

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

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

7. Refractive index: Uncertain

8. Flash point (ºC): Uncertain

9. Specific rotation (º): -86 º (c=1 EtOH)

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

11. Vapor Pressure (kPa, 25ºC): Uncertain

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

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

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. Oil-water (octanol/water) partition coefficient The logarithmic value of p>

19. Solubility: Uncertain

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 37.32

2. Molar volume (cm³/mol): 123.2

3. Isotonic specific volume (90.2K ): 332.3

4. Surface tension (dyne/cm): 52.8

5. Polarizability (10-24cm3): 14.79

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: 3

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 57.6

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 190

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

This product should be stored in a sealed, cool, dry place.

Synthesis method

None

Purpose

It is an important fine organic chemical intermediate and is widely used in medicine, pesticides, chemical industry and other fields.

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