Isobutyryl Chloride Isobutyryl Chloride
Structural formula
| Business number | 01PN |
|---|---|
| Molecular formula | C4H7ClO |
| Molecular weight | 106.55 |
| label |
Isobutyryl chloride, 2-Methylpropionyl chloride, 2-methyl-propanoyl chloride, (CH3)2CHCOCl |
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.
