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Substance Name: 2-Butyne-1,4-diol, bis(2,3,6-trichlorobenzoate)
RN: 73758-47-1
InChIKey: OSABWJORQUASPX-UHFFFAOYSA-N

Molecular Formula

  • C18-H8-Cl6-O4

Molecular Weight

  • 500.975
 
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Names and Synonyms

Synonyms

  • 2-Butyne-1,4 bis(2,3,6-trichlorobenzoate)
  • 2-Butyne-1,4-diol, bis(2,3,6-trichlorobenzoate)
  • NSC 190400

Systematic Names

  • 2-Butyne-1,4-diol, bis(2,3,6-trichlorobenzoate)
  • Benzoic acid, 2,3,6-trichloro-, 2-butyne-1,4-diyl ester (9CI)

Registry Numbers

CAS Registry Number

  • 73758-47-1

System Generated Number

  • 0073758471

Structure Descriptors

InChI

1S/C18H8Cl6O4/c19-9-3-5-11(21)15(23)13(9)17(25)27-7-1-2-8-28-18(26)14-10(20)4-6-12(22)16(14)24/h3-6H,7-8H2

InChIKey

OSABWJORQUASPX-UHFFFAOYSA-N

Smiles

c1(c(c(Cl)ccc1Cl)Cl)C(=O)OCC#CCOC(c1c(c(Cl)ccc1Cl)Cl)=O

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#04946,