Isopropyl Chloroacetate Isopropyl Chloroacetate

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:105-48-6

MDL number:MFCD00040410

EINECS number:203-301-7

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Properties: liquid.

2. Density (g/mL, 25℃): 1.08

3. Relative density (20℃, 4℃): 1.0888

4. Relative Density (25℃, 4℃): 1.0812

5. Boiling point (ºC, normal pressure): 149-150

6. Refractive index at room temperature (n²⁰): 1.4192

7. Refractive index: 1.418-1.42

8. Flash point (ºC): 56

9. Refractive index at room temperature (n ²⁵): 1.4175

10. Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (mmHg, 20ºC): Not determined Determined

12. Saturated vapor pressure (kPa, ℃): 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

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

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

19. Dissolution Properties: Slightly soluble in water.

Toxicological data

None

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 31.79

2. Molar volume (cm³/mol): 126.3

3. Isotonic specific volume (90.2K ): 291.6

4. Surface tension (dyne/cm): 28.4

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 12.60

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.5

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 26.3

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 80.5

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

Avoid contact with oxidizing agents.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire, heat sources and anti-static. They should be stored separately from oxidants and strong alkali, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

None

Purpose

None