Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:98-05-5

MDL number:MFCD00002097

EINECS number:202-631-9

RTECS number:CY3150000

BRN number:None

PubChem ID:None

Physical property data

1. Characteristics: White crystalline powder.

2. Density (g/mL,25℃): 1.76

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

4. Melting point (oC): 160

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

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

7. Refractive index: Undetermined

8. Flashpoint (oC): Undetermined

9. Specific optical rotation (o): Undetermined

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

11. Vapor pressure (mmHg, 55oC): Undetermined

12. Saturated vapor pressure (kPa, 25 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 partition coefficient (water): undetermined

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

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

19. Solubility: Undetermined

Toxicological data

Acute toxicity: Rat oral LD50: 50mg/kg;
?MouseOral LD50：270μg/kg;
-US; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA”>Rabbit intravenous injectionLD50:16mg/kg;

Ecological data

It is extremely harmful to water and toxic to fish. Do not let the product enter the water body.

Molecular structure data

None

Compute chemical data

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

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 1

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 57.5

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 145

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

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: 1

Properties and stability

Does not decompose under normal temperature and pressure. Avoid contact with oxidants.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. should be kept away from oxidizer, do not store together. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and equipment that are prone to sparks
Tools. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

After diazotization of aniline and Arsenous acid reaction is obtained.

Purpose

is used as an analytical reagent.

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