Isobutyryl Chloride Isobutyryl Chloride

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:79-30-1

MDL number:MFCD00000717

EINECS number:201-194-1

RTECS number:UC3944000

BRN number:605393

PubChem number:24848392

Physical property data

1. Properties: Colorless transparent liquid

2. Density (g/mL, 25/4℃): 1.101 ± 0.06

3. Relative density (20℃, 4℃): 1.0147

4. Melting point (ºC): -90

5. Boiling point (ºC, normal pressure): 92

6. Refraction at room temperature Index (n²⁰): 1.4079

7. Refractive index: 1.4079

8. Flash point (ºC): 1

9. Specific rotation (º): Uncertain

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

11. Vapor pressure (kPa, 25ºC): Uncertain Determined

12. Saturated vapor pressure (kPa, 60ºC): Uncertain

13. Heat of combustion (KJ/mol): Uncertain

14. Critical Temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. Log value of oil-water (octanol/water) partition coefficient: Uncertain

16. p>

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

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

19. Dissolution Properties: Decomposes when exposed to water and ethanol. Soluble in ether.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 25.41

2. Molar volume (cm³/mol): 103.4

3. Isotonic specific volume (90.2K ): 232.1

4. Surface tension (dyne/cm): 25.3

5. Polarizability (10^-24cm³): 10.07

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.8

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 17.1

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 58.6

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain atomic stereocenterNumber of ��centers: 0

13. Determined 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

None yet

Storage method

This product should be kept sealed and dry.

Synthesis method

None yet

Purpose

Used in organic synthesis.