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.
