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Substance Name: Heptane, 1-bromo-
RN: 629-04-9
InChIKey: LSXKDWGTSHCFPP-UHFFFAOYSA-N

Molecular Formula

  • C7-H15-Br

Molecular Weight

  • 179.1
 
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Names and Synonyms

Synonyms

  • 1-Bromoheptane
  • EINECS 211-068-8
  • Heptyl bromide
  • n-Heptyl bromide
  • NSC 7315

Systematic Names

  • 1-Bromoheptane
  • Heptane, 1-bromo-

Registry Numbers

CAS Registry Number

  • 629-04-9

System Generated Number

  • 0000629049

Structure Descriptors

InChI

1S/C7H15Br/c1-2-3-4-5-6-7-8/h2-7H2,1H3

InChIKey

LSXKDWGTSHCFPP-UHFFFAOYSA-N

Smiles

C(CCCBr)CCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LC50 inhalation 12gm/m3 (12000mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(4), Pg. 55, 1974.
mouse LD50 intraperitoneal 2440mg/kg (2440mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 20(12), Pg. 52, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -5.80E+01 deg C   EXP
Boiling Point 179 deg C   EXP
log P (octanol-water) 4.36 (none)   EXP
Water Solubility 6.64 mg/L 25 EXP
Vapor Pressure 1.27 mm Hg 25 EXP
Henry's Law Constant 0.045 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.41E-12 cm3/molecule-sec 25 EST

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