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Substance Name: 1-Bromohexane
RN: 111-25-1
UNII: WVA0FAX7GA
InChIKey: MNDIARAMWBIKFW-UHFFFAOYSA-N

Molecular Formula

  • C6-H13-Br

Molecular Weight

  • 165.073
 
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Names and Synonyms

Name of Substance

  • 1-Bromohexane

Synonyms

  • 1-Bromohexane
  • 1-Hexyl bromide
  • AI3-28588
  • Bromohexane
  • EC 203-850-2
  • EINECS 203-850-2
  • Hexyl bromide
  • n-Hexyl bromide
  • NSC 71206
  • UNII-WVA0FAX7GA

Systematic Names

  • 1-Bromohexane
  • Hexane, 1-bromo-

Registry Numbers

CAS Registry Number

  • 111-25-1

FDA UNII

  • WVA0FAX7GA

System Generated Number

  • 0000111251

Structure Descriptors

InChI

1S/C6H13Br/c1-2-3-4-5-6-7/h2-6H2,1H3

InChIKey

MNDIARAMWBIKFW-UHFFFAOYSA-N

Smiles

C(CCC)CCBr

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LC50 inhalation 13600mg/m3 (13600mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(4), Pg. 55, 1974.
mouse LD50 intraperitoneal 1226mg/kg (1226mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 20(12), Pg. 52, 1976.
rat LC50 inhalation 550gm/m3/30M (550000mg/m3)   Fiziologicheski Aktivnye Veshchestva. Physiologically Active Substances. Vol. 7, Pg. 35, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -8.47E+01 deg C   EXP
Boiling Point 155.3 deg C   EXP
log P (octanol-water) 3.8 (none)   EXP
Water Solubility 25.7 mg/L 25 EXP
Vapor Pressure 3.9 mm Hg 25 EXP
Henry's Law Constant 0.033 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.85E-12 cm3/molecule-sec 25 EXP

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