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.