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Substance Name: p-Toluenesulfonic acid, 2-propynyl ester
RN: 6165-76-0
InChIKey: LMBVCSFXFFROTA-UHFFFAOYSA-N

Molecular Formula

  • C10-H10-O3-S

Molecular Weight

  • 210.252
 
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Names and Synonyms

Synonyms

  • 4-11-00-00263 (Beilstein Handbook Reference)
  • BRN 1912957
  • CCRIS 9146
  • Propargyl p-toluenesulfonate

Systematic Names

  • 2-Propyn-1-ol, 4-methylbenzenesulfonate
  • p-Toluenesulfonic acid, 2-propynyl ester

Registry Numbers

CAS Registry Number

  • 6165-76-0

System Generated Number

  • 0006165760

Structure Descriptors

InChI

1S/C10H10O3S/c1-3-8-13-14(11,12)10-6-4-9(2)5-7-10/h1,4-7H,8H2,2H3

InChIKey

LMBVCSFXFFROTA-UHFFFAOYSA-N

Smiles

c1(S(OCC#C)(=O)=O)ccc(C)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00017,