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Substance Name: Hexane, 1-chloro-6-fluoro-
RN: 1550-09-0
InChIKey: NASMVDMHYMZBIM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H12-Cl-F

Molecular Weight

  • 138.612
 
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Names and Synonyms

Synonyms

  • 4-01-00-00350 (Beilstein Handbook Reference)
  • 6-Fluorohexyl chloride
  • BRN 1732406

Systematic Name

  • Hexane, 1-chloro-6-fluoro-

Registry Numbers

CAS Registry Number

  • 1550-09-0

System Generated Number

  • 0001550090

Structure Descriptors

InChI

1S/C6H12ClF/c7-5-3-1-2-4-6-8/h1-6H2

InChIKey

NASMVDMHYMZBIM-UHFFFAOYSA-N

Smiles

C(CCCCl)CCF

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 5800ug/kg (5.8mg/kg)   Journal of Organic Chemistry. Vol. 21, Pg. 748, 1956.
mouse LD50 subcutaneous 5800ug/kg (5.8mg/kg)   Compilation of LD50 Values of New Drugs.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 168 deg C   EXP
log P (octanol-water) 3.480 (none)   EST
Atmospheric OH Rate Constant 4.49E-12 cm3/molecule-sec 25 EST

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