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Substance Name: Heptane, 2-bromo-
RN: 1974-04-5
InChIKey: HLAUCEOFCOXKNF-UHFFFAOYSA-N

Molecular Formula

  • C7-H15-Br

Molecular Weight

  • 179.1
 
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Names and Synonyms

Synonyms

  • 2-Bromoheptane
  • 2-Heptyl bromide
  • EINECS 217-824-3
  • NSC 11768

Systematic Names

  • 2-Bromoheptane
  • Heptane, 2-bromo-

Registry Numbers

CAS Registry Number

  • 1974-04-5

Other Registry Number

  • 63789-83-3

System Generated Number

  • 0001974045

Structure Descriptors

InChI

1S/C7H15Br/c1-3-4-5-6-7(2)8/h7H,3-6H2,1-2H3

InChIKey

HLAUCEOFCOXKNF-UHFFFAOYSA-N

Smiles

C(CCCC)[C@@H](C)Br

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 47 deg C   EXP
Boiling Point 166 deg C   EXP
log P (octanol-water) 4.050 (none)   EST
Water Solubility 19.4 mg/L 25 EST
Vapor Pressure 2.28 mm Hg 25 EXP
Henry's Law Constant 0.047 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.40E-12 cm3/molecule-sec 25 EST

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