Benzo(a)pyrene

Benzo(a)pyrene

Benzo(a)pyrene structural formula

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

Chloroisoindolium ammonium diiodide

Structural formula of chloroisoindolyl 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

2,6-Dichlorobenzoic acid

2,6-Dichlorobenzoic acid structural formula

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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