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Substance Name: Benzonitrile, 2,6-dimethoxy-
RN: 16932-49-3
InChIKey: XHAHKSSLDJIEDH-UHFFFAOYSA-N

Molecular Formula

  • C9-H9-N-O2

Molecular Weight

  • 163.175
 
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Names and Synonyms

Synonyms

  • 2,6-Dimethoxybenzonitrile
  • 2-10-00-00260 (Beilstein Handbook Reference)
  • BRN 2720059
  • EINECS 241-000-2

Systematic Names

  • 2,6-Dimethoxybenzonitrile
  • Benzonitrile, 2,6-dimethoxy-

Registry Numbers

CAS Registry Number

  • 16932-49-3

System Generated Number

  • 0016932493

Structure Descriptors

InChI

1S/C9H9NO2/c1-11-8-4-3-5-9(12-2)7(8)6-10/h3-5H,1-2H3

InChIKey

XHAHKSSLDJIEDH-UHFFFAOYSA-N

Smiles

c1(C#N)c(OC)cccc1OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD oral > 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 17, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 119 deg C   EXP
Boiling Point 310 deg C   EXP
log P (octanol-water) 1.700 (none)   EST
Atmospheric OH Rate Constant 4.35E-11 cm3/molecule-sec 25 EST

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