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Substance Name: 4-Isopropylbenzonitrile
RN: 13816-33-6
UNII: 4V31KQF934
InChIKey: YFDJCWXBKWRDPW-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C10-H11-N

Molecular Weight

  • 145.204
 
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Names and Synonyms

Name of Substance

  • 4-Isopropylbenzonitrile

Synonyms

  • 3-Isopropylbenzonitrile
  • 4-(1-Methylethyl)benzonitrile
  • 4-09-00-01846 (Beilstein Handbook Reference)
  • Benzonitrile, 4-(1-methylethyl)-
  • BRN 1932883
  • Cuminic nitrile
  • Cuminonitrile
  • Cuminyl nitrile
  • EINECS 237-492-3
  • p-Cyanocumene
  • p-Isopropylbenzonitrile
  • UNII-4V31KQF934

Systematic Names

  • 4-Isopropylbenzonitrile
  • Benzonitrile, 4-(1-methylethyl)-
  • Benzonitrile, p-isopropyl-

Registry Numbers

CAS Registry Number

  • 13816-33-6

FDA UNII

  • 4V31KQF934

System Generated Number

  • 0013816336

Structure Descriptors

InChI

InChI=1S/C10H11N/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8H,1-2H3

InChIKey

YFDJCWXBKWRDPW-UHFFFAOYSA-N

Smiles

CC(C)c1ccc(cc1)C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 21, Pg. 837, 1983.
rat LD50 oral 3900mg/kg (3900mg/kg)   Food and Chemical Toxicology. Vol. 21, Pg. 837, 1983.