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Substance Name: 4-Methoxybenzonitrile
RN: 874-90-8
InChIKey: XDJAAZYHCCRJOK-UHFFFAOYSA-N

Molecular Formula

  • C8-H7-N-O

Molecular Weight

  • 133.149
 
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Names and Synonyms

Name of Substance

  • 4-Methoxybenzonitrile

Synonyms

  • 4-Cyanoanisole
  • 4-Methoxybenzonitrile
  • AI3-11801
  • Anisonitrile
  • Benzonitrile, 4-methoxy-
  • EINECS 212-871-6
  • NSC 3777
  • NSC 71539
  • p-Anisylnitrile
  • p-Cyanoanisole
  • p-Methoxyphenyl cyanide

Systematic Names

  • Benzonitrile, 4-methoxy-
  • p-Anisonitrile (8CI)
  • p-Methoxybenzonitrile

Registry Numbers

CAS Registry Number

  • 874-90-8

Other Registry Number

  • 721942-48-9

System Generated Number

  • 0000874908

Structure Descriptors

InChI

1S/C8H7NO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,1H3

InChIKey

XDJAAZYHCCRJOK-UHFFFAOYSA-N

Smiles

N#Cc1ccc(OC)cc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 61.5 deg C   EXP
Boiling Point 256.5 deg C   EXP
log P (octanol-water) 1.7 (none)   EXP
Water Solubility 1720 mg/L 25 EST
Vapor Pressure 0.068 mm Hg 25 EST
Henry's Law Constant 3.08E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.63E-12 cm3/molecule-sec 25 EST

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