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Substance Name: Octyl cyanide
RN: 2243-27-8
UNII: 6Q10KP3P20
InChIKey: PLZZPPHAMDJOSR-UHFFFAOYSA-N

Molecular Formula

  • C9-H17-N

Molecular Weight

  • 139.2403
 
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Names and Synonyms

Name of Substance

  • Octyl cyanide

Synonyms

  • 1-Cyanooctane
  • 1-Octyl cyanide
  • 4-02-00-01024 (Beilstein Handbook Reference)
  • AI3-33241
  • BRN 1746339
  • EINECS 218-808-9
  • n-Nonanenitrile
  • n-Nonanonitrile
  • n-Octyl cyanide
  • n-Octylcyanide
  • Nonanitrile
  • Nonanonitrile
  • NSC 5560
  • Octyl cyanide
  • Pelargonitrile
  • Pelargononitrile
  • UNII-6Q10KP3P20

Systematic Names

  • n-Octanenitrile
  • Nonanenitrile

Registry Numbers

CAS Registry Number

  • 2243-27-8

FDA UNII

  • 6Q10KP3P20

System Generated Number

  • 0002243278

Structure Descriptors

InChI

1S/C9H17N/c1-2-3-4-5-6-7-8-9-10/h2-8H2,1H3

InChIKey

PLZZPPHAMDJOSR-UHFFFAOYSA-N

Smiles

C(CCCC#N)CCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2059mg/kg (2059mg/kg)   Archives of Toxicology. Vol. 55, Pg. 47, 1984.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -3.42E+01 deg C   EXP
Boiling Point 224.4 deg C   EXP
log P (octanol-water) 3.12 (none)   EXP
Water Solubility 70 mg/L 25 EXP
Vapor Pressure 0.101 mm Hg 25 EST
Henry's Law Constant 2.22E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.32E-12 cm3/molecule-sec 25 EST

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