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Substance Name: 1-Naphthaleneacetonitrile
RN: 132-75-2
InChIKey: OQRMWUNUKVUHQO-UHFFFAOYSA-N

Molecular Formula

  • C12-H9-N

Molecular Weight

  • 167.21
 
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Names and Synonyms

Synonyms

  • 4-09-00-02428 (Beilstein Handbook Reference)
  • Acetonitrile, (1-naphthyl)-
  • AI3-26061
  • alpha-(1-Naphthyl)acetonitrile
  • alpha-Naphthyl acetonitrile
  • alpha-Naphthylacetonitrile
  • BRN 1101012
  • EINECS 205-078-1
  • NSC 9844

Systematic Names

  • 1-Naphthaleneacetonitrile
  • 1-Naphthylacetonitrile
  • Acetonitrile, (1-naphthyl)-

Registry Numbers

CAS Registry Number

  • 132-75-2

System Generated Number

  • 0000132752

Structure Descriptors

InChI

1S/C12H9N/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8H2

InChIKey

OQRMWUNUKVUHQO-UHFFFAOYSA-N

Smiles

c12c(cccc1CC#N)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03835,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 32.5 deg C   EXP
log P (octanol-water) 2.740 (none)   EST
Atmospheric OH Rate Constant 2.11E-11 cm3/molecule-sec 25 EST

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