Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzonitrile, 4-fluoro-
RN: 1194-02-1
InChIKey: AEKVBBNGWBBYLL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H4-F-N

Molecular Weight

  • 121.114
 
* 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

  • 4-Fluorobenzonitrile
  • EINECS 214-784-9
  • NSC 88330
  • p-Cyanofluorobenzene
  • p-Fluorobenzonitrile

Systematic Names

  • 4-Fluorobenzonitrile
  • Benzonitrile, 4-fluoro-
  • Benzonitrile, p-fluoro-

Registry Numbers

CAS Registry Number

  • 1194-02-1

System Generated Number

  • 0001194021

Structure Descriptors

InChI

1S/C7H4FN/c8-7-3-1-6(5-9)2-4-7/h1-4H

InChIKey

AEKVBBNGWBBYLL-UHFFFAOYSA-N

Smiles

c1(ccc(F)cc1)C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   Farmaco, Edizione Scientifica. Vol. 41, Pg. 41, 1986.
mouse LD50 oral > 300mg/kg (300mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 906, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 34.8 deg C   EXP
Boiling Point 188.8 deg C   EXP
log P (octanol-water) 1.740 (none)   EST
Atmospheric OH Rate Constant 4.31E-13 cm3/molecule-sec 25 EST

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