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Cas Database |
| Name |
4-Fluorobutyl chloride |
EINECS | N/A |
| CAS No. | 462-73-7 | Density | 0.992g/cm3 |
| PSA | 0.00000 | LogP | 1.97490 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C4H8ClF | Boiling Point | 114.7°Cat760mmHg |
| Molecular Weight | 110.559 | Flash Point | 9.9°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal route. Moderately toxic by subcutaneous route. When heated to decomposition it emits very toxic fumes of Cl− and F−. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
BUTANE,1-CHLORO-4-FLUORO;1-chloro-4-fluoro-butane;4-Fluorobutyl chloride;1-Chlor-4-fluorbutan;Butane, 1-chloro-4-fluoro-;1-fluoro-4-chlorobutane; |
Article Data | 9 |
4-Fluorobutyl chloride Chemical Properties
Product Name: 4-Fluorobutyl chloride (CAS NO.462-73-7)
Molecular Formula: C4H8ClF
Molecular Weight: 110.57g/mol
Mol File: 462-73-7.mol
Boiling point: 114.7 °C at 760 mmHg
Flash Point: 9.9 °C
Density: 0.992 g/cm3
Surface Tension: 21.2 dyne/cm
Enthalpy of Vaporization: 33.85 kJ/mol
Vapour Pressure: 23.3 mmHg at 25°C
XLogP3-AA: 1.9
H-Bond Donor: 0
H-Bond Acceptor: 1
Structure Descriptors of 4-Fluorobutyl chloride (CAS NO.462-73-7):
IUPAC Name: 1-Chloro-4-fluorobutane
Canonical SMILES: C(CCCl)CF
InChI: InChI=1S/C4H8ClF/c5-3-1-2-4-6/h1-4H2
InChIKey: RYKUJAHSVIVAQV-UHFFFAOYSA-N
4-Fluorobutyl chloride Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 1250ug/kg (1.25mg/kg) | Journal of Organic Chemistry. Vol. 21, Pg. 748, 1956. | |
| mouse | LD50 | subcutaneous | 1250mg/kg (1250mg/kg) | Compilation of LD50 Values of New Drugs. |
4-Fluorobutyl chloride Safety Profile
Poison by intraperitoneal route. Moderately toxic by subcutaneous route. When heated to decomposition it emits very toxic fumes of Cl− and F−.
4-Fluorobutyl chloride Specification
4-Fluorobutyl chloride , its CAS NO. is 462-73-7, the synonyms are 4-01-00-00249 (Beilstein Handbook Reference) ; BRN 1697079 ; Butane, 1-chloro-4-fluoro- .
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