Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzeneacetonitrile, 4-chloro-alpha-(1-methylethyl)-
RN: 2012-81-9
InChIKey: RBGSZIRWNWQDOK-UHFFFAOYSA-N

Molecular Formula

  • C11-H12-Cl-N

Molecular Weight

  • 193.676
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • alpha-Isopropyl-p-chlorophenylacetonitrile
  • EINECS 217-935-7

Systematic Names

  • 2-(4-Chlorophenyl)-3-methylbutyronitrile
  • Benzeneacetonitrile, 4-chloro-alpha-(1-methylethyl)-

Registry Numbers

CAS Registry Number

  • 2012-81-9

Other Registry Number

  • 81951-76-0

System Generated Number

  • 0002012819

Structure Descriptors

InChI

1S/C11H12ClN/c1-8(2)11(7-13)9-3-5-10(12)6-4-9/h3-6,8,11H,1-2H3

InChIKey

RBGSZIRWNWQDOK-UHFFFAOYSA-N

Smiles

N#C[C@@H](c1ccc(cc1)Cl)C(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.41 (none)   EXP
Water Solubility 31.3 mg/L 25 EST
Vapor Pressure 2.25E-03 mm Hg 25 EST
Henry's Law Constant 4.28E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.82E-12 cm3/molecule-sec 25 EST

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