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Substance Name: Benzene, 1-ethynyl-4-methyl- (9CI)
RN: 766-97-2
InChIKey: KSZVOXHGCKKOLL-UHFFFAOYSA-N

Molecular Formula

  • C9-H8

Molecular Weight

  • 116.162
 
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Names and Synonyms

Synonyms

  • 1-Ethynyl-4-methylbenzene
  • 4-05-00-01531 (Beilstein Handbook Reference)
  • 4-Methylphenylacetylene
  • BRN 0969653
  • p-Ethynyltoluene
  • p-Methylphenylacetylene
  • p-Tolylacetylene

Systematic Names

  • Benzene, 1-ethynyl-4-methyl- (9CI)
  • Toluene, p-ethynyl-

Registry Numbers

CAS Registry Number

  • 766-97-2

System Generated Number

  • 0000766972

Structure Descriptors

InChI

1S/C9H8/c1-3-9-6-4-8(2)5-7-9/h1,4-7H,2H3

InChIKey

KSZVOXHGCKKOLL-UHFFFAOYSA-N

Smiles

c1(ccc(C)cc1)C#C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#05936,