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Substance Name: Octanoyl chloride
RN: 111-64-8
UNII: BK8FUS6OVT
InChIKey: REEZZSHJLXOIHL-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C8-H15-Cl-O

Molecular Weight

  • 162.658
 
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Names and Synonyms

Name of Substance

  • Octanoyl chloride

Synonyms

  • 4-02-00-00992 (Beilstein Handbook Reference)
  • BRN 0635917
  • Caprylic acid chloride
  • Capryloyl chloride
  • Caprylyl chloride
  • CCRIS 5990
  • EC 203-891-6
  • EINECS 203-891-6
  • Octanoic acid chloride
  • Octanoic chloride
  • Octanoyl chloride
  • UNII-BK8FUS6OVT

Systematic Name

  • Octanoyl chloride

Superlist Names

  • Caprylyl chloride
  • Octanoyl chloride

Registry Numbers

CAS Registry Number

  • 111-64-8

FDA UNII

  • BK8FUS6OVT

System Generated Number

  • 0000111648

Structure Descriptors

InChI

1S/C8H15ClO/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3

InChIKey

REEZZSHJLXOIHL-UHFFFAOYSA-N

Smiles

C(CCCCC)CC(=O)Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -6.30E+01 deg C   EXP
Boiling Point 195.6 deg C   EXP
log P (octanol-water) 2.470 (none)   EST
Atmospheric OH Rate Constant 1.01E-11 cm3/molecule-sec 25 EST

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