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Substance Name: Heptane, 1-fluoro-
RN: 661-11-0
InChIKey: BITLXSQYFZTQGC-UHFFFAOYSA-N

Molecular Formula

  • C7-H15-F

Molecular Weight

  • 118.193
 
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Names and Synonyms

Synonyms

  • 1-Fluoroheptane
  • 4-01-00-00387 (Beilstein Handbook Reference)
  • BRN 1697158
  • EINECS 211-545-0

Systematic Names

  • 1-Fluoroheptane
  • Heptane, 1-fluoro-

Registry Numbers

CAS Registry Number

  • 661-11-0

System Generated Number

  • 0000661110

Structure Descriptors

InChI

1S/C7H15F/c1-2-3-4-5-6-7-8/h2-7H2,1H3

InChIKey

BITLXSQYFZTQGC-UHFFFAOYSA-N

Smiles

C(CCCF)CCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 35mg/kg (35mg/kg)   Journal of the American Chemical Society. Vol. 79, Pg. 2311, 1957.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -7.30E+01 deg C   EXP
Boiling Point 117.9 deg C   EXP
log P (octanol-water) 3.720 (none)   EST
Water Solubility 67.8 mg/L 25 EST
Vapor Pressure 18.4 mm Hg 25 EXP
Henry's Law Constant 0.090 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.36E-12 cm3/molecule-sec 25 EST

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