Chlorophenylacetamide

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:539-03-7

MDL number:MFCD00000612

EINECS number:208-707-8

RTECS number:AE1001000

BRN number:509638

PubChem number:24856828

Physical property data

1. Characteristics: Undetermined

2. Density (g/ cm³, 25/4℃): 1.385

3. Relative steam Density (g/cm³, air=1): Undetermined

4. Melting point (ºC): 176-178

5. Boiling point (ºC , normal pressure): 333

6. Boiling point (ºC, 8kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point ( ºC): 333

9. Specific rotation (º): Undetermined

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

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

12. Saturation vapor pressure (kPa, 55.1ºC): 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 distribution coefficient (water): Undetermined

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

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

19. Solubility: soluble in water

Toxicological data

1. Acute toxicity: Rat intraperitoneal LD50: 245mg/kg, total nutritional and metabolic value-body temperature decrease;

Mouse intraperitoneal LD50: 730mg/kg, no details except lethal dose Description;

2. Mutagenicity data: Microbial body TEST system mutation: Bacteria – Salmonella typhimurium: 2500ug/plate;

Ecological data

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

Molecular structure data

1. Molar refractive index: 45.41

2. Molar volume (cm³/mol): 134.4

3. Isotonic specific volume (90.2K ): 346.8

4. Surface tension (dyne/cm): 44.2

5. Polarizability (10^-24cm³): 18.00

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: 1

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 3

6. Extension�Molecular polar surface area 29.1

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 141

10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Number of uncertain atomic stereocenters: 0

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

14. Uncertain number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

Use and store according to specifications, no decomposition will occur, and avoid contact with oxides

Storage method

Stored in a cool, dry and well-ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. They should be stored separately from acids and food chemicals, and avoid mixed storage. Suitable materials should be available in the storage area to contain spills.

Synthesis method

None yet

Purpose

Used as organic synthesis and dye intermediates.