Hexachloro-1,3-butadiene
Structural formula
| Business number | 01YE |
|---|---|
| Molecular formula | C4Cl6 |
| Molecular weight | 260 |
| label |
1,1,2,3,4,4-hexachloro-1,3-butadiene, perchloroprene, Perchlorobutadiene, herbicide |
Numbering system
CAS number:87-68-3
MDL number:MFCD00000836
EINECS number:201-765-5
RTECS number:EJ0700000
BRN number:1766570
PubChem number:24869044
Physical property data
1. Properties: colorless to light yellow liquid, slightly special smell, toxic
2. Density (g/mL, 20/4℃): 1.6813
3 . Relative vapor density (g/mL, air=1): 8.99
4. Melting point (ºC): -20
5. Boiling point (ºC, normal pressure): 212
6. Refractive index at room temperature (n25): 1.5535
7. Refractive index (n20ºC): 1.5552
8. Liquid The phase standard claims heat (enthalpy) (kJ·mol-1): -24.48
9. Specific rotation (º): +17.5 ~ +18.5
10. Liquid phase standard hot melt (J·mol-1·K-1): 148.7
11. Vapor pressure (kPa, 25ºC): 3.99×10-2
12. Saturated vapor pressure (kPa, 60ºC): Undetermined
13. Heat of combustion (KJ/mol ): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (polymer) Log value of the partition coefficient (alcohol/water): Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V ): Undetermined
19. Solubility: Miscible with ethanol and ether, insoluble in water.
Toxicological data
Toxic if taken orally and harmful in contact with skin.
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 49.16
2. Molar volume (cm3/mol): 149.3
3. Isotonic specific volume (90.2K): 381.1
4. Surface tension (dyne/cm): 42.4
5. Polarizability (10-24cm3): 19.68
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 0
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 0
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity: 160
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain atomic stereocentersQuantity: 0
13. Determine the number of stereocenters of chemical bonds: 0
14. Uncertain number of stereocenters of chemical bonds: 0
15. Covalent bonds Number of units: 1
Properties and stability
When exposed to open fire or high heat, it will decompose and release toxic gases.
Storage method
This product should be sealed and stored in a cool, dry place.
Synthesis method
None yet
Purpose
It is used as a solvent, heat carrier, heat exchange agent, liquid for hydraulic systems, lotion, and also used in the synthetic rubber industry. It is also used as a solvent for infrared and nuclear magnetic resonance spectroscopy.