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| CAS No.: | 927-73-1 |
|---|---|
| Name: | 4-CHLORO-1-BUTENE |
| Article Data: | 30 |
| Molecular Structure: | |
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| Formula: | C4H7 Cl |
| Molecular Weight: | 90.5526 |
| Synonyms: | 1-Chloro-3-butene;3-Buten-1-yl chloride; 3-Butenyl chloride; 4-Chloro-1-butene; Allylcarbinylchloride |
| EINECS: | 213-160-3 |
| Density: | 0.896 g/cm3 |
| Melting Point: | -96°C (estimate) |
| Boiling Point: | 73 °C at 760 mmHg |
| Flash Point: | °C |
| Hazard Symbols: | Moderately toxic by ingestion. |
| Safety: | Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of Cl−. |
| PSA: | 0.00000 |
| LogP: | 1.80130 |
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Chemistry
Molecular Formula: C4H7Cl
Molar mass: 90.55 g/mol
Nominal Mass: 90 Da
Average Mass: 90.5514 Da
Monoisotopic Mass: 90.023628 Da
EINECS: 213-160-3
Density: 0.896 g/cm3
Flash Point: 51.9 °C
Index of Refraction: 1.412
Boiling Point: 73 °C at 760 mmHg
Vapour Pressure: 127 mmHg at 25°C
Structure of 4-Chloro-1-butene (927-73-1):
XLogP3-AA: 1.9
H-Bond Donor: 0
H-Bond Acceptor: 0
Systematic Name of 4-Chloro-1-butene (927-73-1): 4-Chlorobut-1-ene
SMILES: ClCC\C=C
InChI: InChI=1/C4H7Cl/c1-2-3-4-5/h2H,1,3-4H2
InChIKey: WKEVRZCQFQDCIR-UHFFFAOYAN
Std. InChI: InChI=1S/C4H7Cl/c1-2-3-4-5/h2H,1,3-4H2
Std. InChIKey: WKEVRZCQFQDCIR-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | orl-mus LD50:515 mg/kg | VCVGH* Vrednie chemichescie veshestva, galogenproisvodnie uglevodorodov .Bandman A.L. et al.,Chimia,1990,483. | ||
| 2. | orl-rat LD50:695 mg/kg | VCVGH* Vrednie chemichescie veshestva, galogenproisvodnie uglevodorodov .Bandman A.L. et al.,Chimia,1990,483. |
Safety Profile
Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of Cl−.
Specification
4-Chloro-1-butene (927-73-1) also can be called 4-Chlorobut-1-ene and 1-butene, 4-chloro- .