Trans-1,4-Dichloro-2-butene trans-1,4-Dichloro-2-buteme
Structural formula
| Business number | 031G |
|---|---|
| Molecular formula | C4H6Cl2 |
| Molecular weight | 125 |
| label |
Dichloro-2-butane, (E)-1,4-Dichloro-2-butene, 1,4-Dichloro-2-butene, linear compound |
Numbering system
CAS number:110-57-6
MDL number:MFCD00000988
EINECS number:203-779-7
RTECS number:EM4903000
BRN number:1719693
PubChem number:24859448
Physical property data
1. Properties: colorless liquid with special odor.
2. Density (g/mL, 25℃): 1.1858
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 3.5
5. Boiling point (ºC, normal pressure): 158
6. Boiling point (ºC, kPa): Undetermined
7. Refractive index: Undetermined
8. Flash point (ºC): 53
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg, ºC): 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
17. Explosion upper limit (%, V/V): Undetermined Determined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Miscible with benzene, ethanol and carbon tetrachloride, not with ethanol Glycol, glycerol and water are miscible.
Toxicological data
1. Acute toxicity: Rat inhalation LC5O: 86ppm/4H
2. Oncogenicity: Mouse intraperitoneal TDLO: 150mg/kg/77W-I; Mouse subcutaneous TDLO: 150 mg/kg /77W-I
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 30.33
2. Molar volume (cm3/mol): 110.9
3. Isotonic specific volume (90.2K ): 255.3
4. Surface tension (dyne/cm): 28.0
5. Polarizability (10-24cm3): 12.02
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.7
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: 34.8
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 1
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
Store in a cool, ventilated warehouse, away from fire and anti-static. Keep container tightly sealed and store away from oxidizing agents. Explosion-proof devices, emergency leakage treatment equipment and suitable containment materials should be provided.
Synthesis method
None yet
Purpose
Organic synthesis intermediates.
