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Substance Name: Butane, 1-chloro-4-fluoro-
RN: 462-73-7
InChIKey: RYKUJAHSVIVAQV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C4-H8-Cl-F

Molecular Weight

  • 110.558
 
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Names and Synonyms

Synonyms

  • 4-01-00-00249 (Beilstein Handbook Reference)
  • 4-Fluorobutyl chloride
  • BRN 1697079

Systematic Name

  • Butane, 1-chloro-4-fluoro-

Registry Numbers

CAS Registry Number

  • 462-73-7

System Generated Number

  • 0000462737

Structure Descriptors

InChI

1S/C4H8ClF/c5-3-1-2-4-6/h1-4H2

InChIKey

RYKUJAHSVIVAQV-UHFFFAOYSA-N

Smiles

C(CCCl)CF

Toxicity

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.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 114.7 deg C   EXP
log P (octanol-water) 2.500 (none)   EST
Atmospheric OH Rate Constant 1.66E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.