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Substance Name: 3,5-Benzotrifluorodiamine
RN: 368-53-6
UNII: Z89RD529KK
InChIKey: KZSXRDLXTFEHJM-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant

Molecular Formula

  • C7-H7-F3-N2

Molecular Weight

  • 176.14
 
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Names and Synonyms

Name of Substance

  • 3,5-Benzotrifluorodiamine

Synonyms

  • 3,5-Benzotrifluorodiamine
  • 3,5-Diaminobenzotrifluoride
  • 4-13-00-00264 (Beilstein Handbook Reference)
  • 5-(Trifluoromethyl)-1,3-benzenediamine
  • alpha,alpha,alpha-Trifluorotoluene-3,5-diamine
  • BRN 2966748
  • EINECS 206-708-8
  • UNII-Z89RD529KK

Systematic Names

  • 1,3-Benzeneamine, 5-((trifluoromethyl)-
  • 1,3-Benzenediamine, 5-(trifluoromethyl)-
  • 5-(Trifluoromethyl)benzene-1,3-diamine
  • Toluene-3,5-diamine, alpha,alpha,alpha-trifluoro- (8CI)

Registry Numbers

CAS Registry Number

  • 368-53-6

FDA UNII

  • Z89RD529KK

System Generated Number

  • 0000368536

Structure Descriptors

InChI

1S/C7H7F3N2/c8-7(9,10)4-1-5(11)3-6(12)2-4/h1-3H,11-12H2

InChIKey

KZSXRDLXTFEHJM-UHFFFAOYSA-N

Smiles

C(c1cc(N)cc(c1)N)(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 380mg/kg (380mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
National Technical Information Service. Vol. OTS0529911,