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Substance Name: 2-Octyn-2-ol, 1,1,1-trichloro-
RN: 57212-17-6
InChIKey: ZFBPCOZOBDHZLI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H11-Cl3-O

Molecular Weight

  • 229.5329
 
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Names and Synonyms

Synonyms

  • 1,1,1-Trichloro-2-octyn-2-ol
  • BRN 1933550

Systematic Name

  • 2-Octyn-2-ol, 1,1,1-trichloro-

Registry Numbers

CAS Registry Number

  • 57212-17-6

System Generated Number

  • 0057212176

Structure Descriptors

InChI

1S/C8H11Cl3O/c1-2-3-4-5-6-7(12)8(9,10)11/h7,12H,2-4H2,1H3

InChIKey

ZFBPCOZOBDHZLI-UHFFFAOYSA-N

Smiles

CCCCC#CC(C(Cl)(Cl)Cl)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 300mg/kg (300mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 16, Pg. 533, 1981.