1,2-Dichlorobutane
Structural formula
| Business number | 06H6 |
|---|---|
| Molecular formula | C4H8Cl2 |
| Molecular weight | 127.01 |
| label |
C2H5CH(Cl)CH2Cl |
Numbering system
CAS number:616-21-7
MDL number:MFCD00013676
EINECS number:210-469-5
RTECS number:None
BRN number:1731376
PubChem number:24846699
Physical property data
1. Boiling point (ºC, normal pressure): 124.0°C0.1 mm Hg(lit.)
2. Density: 1.112 g/mL at 25 °C(lit.
3. Refractive index:n20/D 1.445(lit.)
4. Flash point (ºC): 80 °F
5 . Relative density (20℃, 4℃): 1.1171
6. Relative density (25℃, 4℃): 1.1116
7. Refractive index at room temperature (n20 ): 1.4450
8. Refractive index at room temperature (n25): 1.4425
Toxicological data
None yet
Ecological data
Other harmful effects: This substance may be harmful to the environment, and special attention should be paid to water bodies.
Molecular structure data
1. Molar refractive index: 30.23
2. Molar volume (cm3/mol): 117.7
3. Isotonic specific volume (90.2K ): 265.5
4. Surface tension (dyne/cm): 25.9
5. Polarizability (10-24cm3): 11.98
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.4
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 0
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 0
7. Number of heavy atoms: 6
8. Surface charge: 0
9. Complexity: 28.7
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 1
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
The product may not decompose under normal temperature and pressure.
Storage method
Seal the secret container and store it in a sealed main container in a cool, dry place.
Synthesis method
None yet
Purpose
None yet