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| CAS No.: | 627-22-5 |
|---|---|
| Name: | 1-chlorobuta-1,3-diene |
| Article Data: | 18 |
| Molecular Structure: | |
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| Formula: | C4H5 Cl |
| Molecular Weight: | 88.5367 |
| Synonyms: | 1-Chloro-1,3-butadiene;1-Chlorobutadiene; a-Chloroprene |
| Density: | 0.935g/cm3 |
| Melting Point: | -130°C (estimate) |
| Boiling Point: | 68°C at 760 mmHg |
| Safety: | Probably a poison. Mutation data reported. Dangerous fire hazard when exposed to heat or flame. To fight fire, use alcohol foam. When heated to decomposition it emits toxic fumes of Cl−. See also CHLORINATED HYDROCARBONS, ALIPHATIC. |
| PSA: | 0.00000 |
| LogP: | 1.92490 |
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- Total:8 Page 1 of 1 1
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Chemistry
Molecular Structure of 1-Chlorobutadiene (CAS NO.627-22-5):
IUPAC: (1E)-1-Chlorobuta-1,3-diene
Molecular Formula:C4H5Cl
Molecular Weight:88.5355
Density:0.935 g/cm3
EINECS:210-990-8
Flash Point:−4oF
Boiling Point:68oC at 760 mmHg
SMILES:Cl\C=C\C=C
InChI:InChI=1/C4H5Cl/c1-2-3-4-5/h2-4H,1H2/b4-3+
InChIKey:PCPYTNCQOSFKGG-ONEGZZNKBL
Index of Refraction:1.445
Molar Volume:94.6 cm3
Surface Tension:22.4 dyne/cm
Molar Refractivity:25.21 cm3
Enthalpy of Vaporization:29.69 kJ/mol
Vapour Pressure:154 mmHg at 25oC
Toxicity Data With Reference
| 1. | mmo-sat 8 pph/4H | ARTODN Archives of Toxicology. 41 (1979),249. | ||
| 2. | sln-dmg-orl 5700 µmol/L/3D-I | 35WYAM In Vitro Metabolic Activation in Mutagenic Testing Proceedings of the Symposium on the Role of Metabolic Activation in Producing Mutagenic and Carcinogenic Environmental Chemicals, Research Triangle Park, NC, Feb. 9-11, 1976 ,De Serres, F.J. et al., eds.,New York, NY.: Elsevier North Holland,1976,63. |
Consensus Reports
EPA Genetic Toxicology Program.
Safety Profile
Probably a poison. Mutation data reported. Dangerous fire hazard when exposed to heat or flame. To fight fire, use alcohol foam. When heated to decomposition it emits toxic fumes of Cl−. See also CHLORINATED HYDROCARBONS, ALIPHATIC.
Specification
1-Chlorobutadiene with cas registry number of 627-22-5 is also known as 1-Chlorobuta-1,3-diene ; 1,3-Butadiene,1-chloro- ; 1-chloro-1,3-butadiene ; (E)-1-Chloro-1,3-butadiene ; 1-Chloroerythrene ; Trans-1-Chloro-1,3-butadiene . It is a compound with the appearance of colorless liquid . It should be stored in a cool, dry place and kept away from fire, high temperature and oxidizing agents because it is a flammable liquid . It would emit toxic fumes such as chloride during thermal decomposition . 1-Chlorobutadiene with cas registry number of 627-22-5 is used as used as a pharmaceutical intermediate.