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Substance Name: n-Octyl bromide
RN: 111-83-1
UNII: Q382HPC6LC
InChIKey: VMKOFRJSULQZRM-UHFFFAOYSA-N

Molecular Formula

  • C8-H17-Br

Molecular Weight

  • 193.126
 
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Names and Synonyms

Name of Substance

  • n-Octyl bromide

Synonyms

  • 1-Bromooctane
  • 1-Octylbromide
  • AI3-15807
  • CCRIS 8914
  • EC 203-912-9
  • EINECS 203-912-9
  • n-Octyl bromide
  • NSC 9821
  • Octyl bromide
  • UNII-Q382HPC6LC

Systematic Names

  • 1-Bromooctane
  • Octane, 1-bromo-

Registry Numbers

CAS Registry Number

  • 111-83-1

FDA UNII

  • Q382HPC6LC

System Generated Number

  • 0000111831

Structure Descriptors

InChI

1S/C8H17Br/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3

InChIKey

VMKOFRJSULQZRM-UHFFFAOYSA-N

Smiles

C(CCCC)CCCBr

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 8mL/kg (8mL/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
rat LD50 oral 4490uL/kg (4.49mL/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -5.50E+01 deg C   EXP
Boiling Point 200 deg C   EXP
log P (octanol-water) 4.89 (none)   EXP
Water Solubility 1.67 mg/L 25 EXP
Henry's Law Constant 0.058 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.82E-12 cm3/molecule-sec 25 EST

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