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Substance Name: Benzeneacetonitrile, 4-methoxy-
RN: 104-47-2
InChIKey: PACGLQCRGWFBJH-UHFFFAOYSA-N

Molecular Formula

  • C9-H9-N-O

Molecular Weight

  • 147.176
 
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Names and Synonyms

Synonyms

  • 4-10-00-00555 (Beilstein Handbook Reference)
  • 4-Methoxyphenylacetonitrile
  • Anisylacetonitrile
  • Benzeneacetonitrile, 4-methoxy-
  • BRN 0509162
  • EINECS 203-206-0
  • NSC 96
  • p-Methoxybenzeneacetonitrile
  • p-Methoxybenzyl cyanide
  • p-Methoxyphenylacetonitrile

Systematic Names

  • 4-Methoxyphenylacetonitrile
  • Acetonitrile, (p-methoxyphenyl)-
  • Benzeneacetonitrile, 4-methoxy-

Registry Numbers

CAS Registry Number

  • 104-47-2

System Generated Number

  • 0000104472

Structure Descriptors

InChI

1S/C9H9NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6H2,1H3

InChIKey

PACGLQCRGWFBJH-UHFFFAOYSA-N

Smiles

COc1ccc(cc1)CC#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07882,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 286.5 deg C   EXP
log P (octanol-water) 1.7 (none)   EXP
Water Solubility 1500 mg/L 25 EST
Vapor Pressure 8.15E-03 mm Hg 25 EST
Henry's Law Constant 1.46E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.37E-11 cm3/molecule-sec 25 EST

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