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Substance Name: 1-Bromohexadecane
RN: 112-82-3
UNII: 76GJI7GVAM
InChIKey: HNTGIJLWHDPAFN-UHFFFAOYSA-N

Molecular Formula

  • C16-H33-Br

Molecular Weight

  • 305.341
 
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Names and Synonyms

Name of Substance

  • 1-Bromohexadecane

Synonyms

  • 1-Bromohexadecane
  • 1-Hexadecyl bromide
  • AI3-11181
  • Cetyl bromide
  • EC 204-008-7
  • EINECS 204-008-7
  • Hexadecyl bromide
  • n-Hexadecyl bromide
  • n-Hexadecyl-1-bromide
  • NSC 4193
  • UNII-76GJI7GVAM

Systematic Names

  • 1-Bromohexadecane
  • Hexadecane, 1-bromo-

Registry Numbers

CAS Registry Number

  • 112-82-3

FDA UNII

  • 76GJI7GVAM

System Generated Number

  • 0000112823

Structure Descriptors

InChI

1S/C16H33Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3

InChIKey

HNTGIJLWHDPAFN-UHFFFAOYSA-N

Smiles

C(CCCCCCCC)CCCCCCCBr

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 18 deg C   EXP
Boiling Point 336 deg C   EXP
log P (octanol-water) 8.540 (none)   EST
Water Solubility 5.79E-04 mg/L 25 EST
Henry's Law Constant 0.595 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.91E-11 cm3/molecule-sec 25 EST

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