Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Phenylisocyanide
RN: 931-54-4
InChIKey: RCIBIGQXGCBBCT-UHFFFAOYSA-N

Molecular Formula

  • C7-H5-N

Molecular Weight

  • 103.123
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Phenylisocyanide

Synonym

  • EINECS 213-239-2

Systematic Name

  • Phenyl isocyanide

Registry Numbers

CAS Registry Number

  • 931-54-4

System Generated Number

  • 0000931544

Structure Descriptors

InChI

1S/C7H5N/c1-8-7-5-3-2-4-6-7/h2-6H

InChIKey

RCIBIGQXGCBBCT-UHFFFAOYSA-N

Smiles

c1(ccccc1)[N+]#[C-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.090 (none)   EST
Water Solubility 1870 mg/L 25 EST
Vapor Pressure 2.4 mm Hg 25 EXP
Henry's Law Constant 2.06E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.39E-12 cm3/molecule-sec 25 EST

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