Chloroacetoacetanilide 4′-Chloroacetoacetanilide

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:101-92-8

MDL number:MFCD00000613

EINECS number:202-989-6

RTECS number:AK4375000

BRN number:None

PubChem number:24848116

Physical property data

1. Characteristics: Undetermined

2. Density (g/mL, 20℃): Undetermined

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

4. Melting point (ºC): 131-134

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

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

7. Refractive index: Not determined

8. Flash point (ºC): Not determined

9. Specific rotation Degree (º): Undetermined

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

11. Vapor pressure (mmHg, 20ºC): Undetermined

12. Saturated vapor pressure (kPa, 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: Undetermined

Toxicological data

Acute toxicity: mouse peritoneal cavity LDLo: 500mg/kg;

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 54.71

2. Molar volume (cm³/mol): 164.6

3. Isotonic specific volume (90.2K ): 431.5

4. Surface tension (dyne/cm): 47.2

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 21.69

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.1

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: 8

6. Topological molecule polar surface area 46.2

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 222

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain atomic stereocenterNumber of centers: 0

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

14. Uncertain number of stereocenters of chemical bonds: 0

15. Covalent Number of key units: 1

Properties and stability

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

Mainly used for the synthesis of coupling components of C.I Pigment Orange 44 and other varieties.