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Substance Name: 5-Isothiazolecarboxylic acid, 4-chloro-3-(3-(trifluoromethyl)phenyl)-
RN: 82424-98-4
InChIKey: DBCPIXQDLSSYSQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H5-Cl-F3-N-O2-S

Molecular Weight

  • 307.6785
 
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Names and Synonyms

Synonym

  • 4-Chloro-3-(3-(trifluoromethyl)phenyl)-5-isothiazolecarboxylic acid

Systematic Name

  • 5-Isothiazolecarboxylic acid, 4-chloro-3-(3-(trifluoromethyl)phenyl)-

Registry Numbers

CAS Registry Number

  • 82424-98-4

System Generated Number

  • 0082424984

Structure Descriptors

InChI

1S/C11H5ClF3NO2S/c12-7-8(16-19-9(7)10(17)18)5-2-1-3-6(4-5)11(13,14)15/h1-4H,(H,17,18)

InChIKey

DBCPIXQDLSSYSQ-UHFFFAOYSA-N

Smiles

c1cc(cc(c1)C(F)(F)F)c2c(c(sn2)C(=O)O)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 138mg/kg (138mg/kg)   United States Patent Document. Vol. #4346094,