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Substance Name: 2-Butanol, 4-chloro-4-(m-nitrophenyl)-1,1,1-trifluoro-2-(trifluoromethyl)-
RN: 100482-44-8
InChIKey: UFLYCPKQNJKUGW-UHFFFAOYSA-N

Molecular Formula

  • C11-H8-Cl-F6-N-O3

Molecular Weight

  • 351.629
 
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Names and Synonyms

Synonym

  • 4-Chloro-1,1,1-trifluoro-4-(3-nitrophenyl)-2-(trifluoromethyl)-2-butanol

Systematic Name

  • 2-Butanol, 4-chloro-4-(m-nitrophenyl)-1,1,1-trifluoro-2-(trifluoromethyl)-

Registry Numbers

CAS Registry Number

  • 100482-44-8

System Generated Number

  • 0100482448

Structure Descriptors

InChI

1S/C11H8ClF6NO3/c12-8(6-2-1-3-7(4-6)19(21)22)5-9(20,10(13,14)15)11(16,17)18/h1-4,8,20H,5H2

InChIKey

UFLYCPKQNJKUGW-UHFFFAOYSA-N

Smiles

C(C[C@@H](c1cc(ccc1)[N+](=O)[O-])Cl)(C(F)(F)F)(C(F)(F)F)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#09411,