Isovaleryl Chloride Iosvaleryl Chloride
Structural formula
| Business number | 02WF |
|---|---|
| Molecular formula | C5H9ClO |
| Molecular weight | 120.58 |
| label |
isovaleryl chloride, 3-Methylbutyryl chloride, 3-Methylbutyryl chloride, Isovaleroyl Chloride, (CH3)2CHCH2COCl |
Numbering system
CAS number:108-12-3
MDL number:MFCD00000738
EINECS number:203-552-2
RTECS number:None
BRN number:741910
PubChem number:24849677
Physical property data
1. Characteristics: Liquid with pungent odor.
2. Density (g/mL, 20℃): 0.989
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): Undetermined
5. Boiling point (ºC, normal pressure): 115~117
6. Boiling point (ºC, kPa): Undetermined
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7. Refractive index (D20): Undetermined
8. Flash point (ºC): 18
9. Specific rotation (ºC): Not determined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (mmHg, 25ºC ): 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 Determined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility: Soluble in some organic solvents.
Toxicological data
None
Ecological data
This substance is harmful to the environment, and special attention should be paid to the pollution of water bodies.
Molecular structure data
1. Molar refractive index: 30.05
2. Molar volume (cm3/mol): 119.9
3. Isotonic specific volume (90.2K ): 271.9
4. Surface tension (dyne/cm): 26.4
5. Polarizability (10-24cm3): 11.91
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 17.1
7. Number of heavy atoms: 7
8. Surface charge: 0
9. Complexity: 68.5
10. Number of isotope atoms: 0
11. Determined number of atomic stereocenters: 0
12. Uncertain number of 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
Avoid contact with strong oxidants, strong alkalis, water, and alcohols.
Storage method
Stored in a cool, dry and well-ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. Keep container tightly sealed. They should be stored separately from oxidants, alkalis, alcohols, food chemicals, etc., and avoid mixed storage. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.
Synthesis method
None
Purpose
Used in organic synthesis.
