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462-73-7

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Basic Information
CAS No.: 462-73-7
Name: 1-Chloro-4-fluorobutane
Article Data: 9
Molecular Structure:
Molecular Structure of 462-73-7 (1-Chloro-4-fluorobutane)
Formula: C4H8ClF
Molecular Weight: 110.559
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;
Density: 0.992g/cm3
Boiling Point: 114.7°Cat760mmHg
Flash Point: 9.9°C
Safety: Poison by intraperitoneal route. Moderately toxic by subcutaneous route. When heated to decomposition it emits very toxic fumes of Cl− and F−.
PSA: 0.00000
LogP: 1.97490
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Chemistry

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

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.

Safety Profile

Poison by intraperitoneal route. Moderately toxic by subcutaneous route. When heated to decomposition it emits very toxic fumes of Cl− and F−.

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- .