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Substance Name: Capronitrile
RN: 628-73-9
UNII: S1XKP5498P
InChIKey: AILKHAQXUAOOFU-UHFFFAOYSA-N

Molecular Formula

  • C6-H11-N

Molecular Weight

  • 97.1599
 
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Names and Synonyms

Name of Substance

  • Capronitrile

Synonyms

  • 1-Cyanopentane
  • 4-02-00-00930 (Beilstein Handbook Reference)
  • AI3-28396
  • BRN 1633601
  • Capronitrile
  • EINECS 211-052-0
  • Hexanenitrile
  • Hexanonitrile
  • n-Capronitrile
  • NSC 1076
  • Pentyl cyanide
  • Tricapronile
  • UNII-S1XKP5498P

Systematic Name

  • Hexanenitrile

Registry Numbers

CAS Registry Number

  • 628-73-9

FDA UNII

  • S1XKP5498P

System Generated Number

  • 0000628739

Structure Descriptors

InChI

InChI=1S/C6H11N/c1-2-3-4-5-6-7/h2-5H2,1H3

InChIKey

AILKHAQXUAOOFU-UHFFFAOYSA-N

Smiles

CCCCCC#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo subcutaneous 310mg/kg (310mg/kg)   Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 153, Pg. 895, 1911.
mouse LD50 oral 463mg/kg (463mg/kg)   Nippon Eiseigaku Zasshi. Japanese Journal of Hygiene. Vol. 39, Pg. 423, 1984.
rabbit LDLo intravenous 42mg/kg (42mg/kg)   Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 153, Pg. 895, 1911.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -8.03E+01 deg C   EXP
Boiling Point 163.6 deg C   EXP
log P (octanol-water) 1.66 (none)   EXP
Water Solubility 2480 mg/L 25 EST
Vapor Pressure 2.85 mm Hg 25 EXP
Henry's Law Constant 9.49E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.09E-12 cm3/molecule-sec 25 EST

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