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Substance Name: 4-Chloro-3,5-dinitrobenzotrifluoride
RN: 393-75-9
UNII: T97IUB50MN
InChIKey: HFHAVERNVFNSHL-UHFFFAOYSA-N

Note

  • Affects mitochondria isolated from rat liver.

Molecular Formula

  • C7-H2-Cl-F3-N2-O4

Molecular Weight

  • 270.55
 
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Names and Synonyms

Name of Substance

  • 3,5-Dinitro-4-chloro-alpha,alpha,alpha-trifluorotoluene
  • 4-Chloro-3,5-dinitrobenzotrifluoride

Synonyms

  • 1-Chloro-2,6-dinitro-4-(trifluoromethyl)benzene
  • 2,6-Dinitro-4-trifluoromethylchlorobenzene
  • 2-Chloro-1,3-dinitro-5-(trifluoromethyl)benzene
  • 3,5-Dinitro-4-chloro-alpha,alpha,alpha-trifluorotoluene
  • 3,5-Dinitro-4-chlorobenzotrifluoride
  • 4-(Trifluoromethyl)-2,6-dinitrochlorobenzene
  • 4-Chloro-3,5-dinitro-alpha,alpha,alpha-trifluorotoluene
  • 4-Chloro-3,5-dinitrobenzotrifluoride
  • 4-Chloro-alpha,alpha,alpha-trifluoro-3,5-dinitrotoluene
  • Benzene, 2-chloro-1,3-dinitro-5-(trifluoromethyl)-
  • Benzene, 2-chloro-5-(trifluoromethyl)-1,3-dinitro-
  • Benzotrifluoride, 4-chloro-3,5-dinitro-
  • BRN 1220937
  • CCRIS 2818
  • EC 206-889-3
  • EINECS 206-889-3
  • HSDB 4262
  • NSC 88274
  • Toluene, 4-chloro-alpha,alpha,alpha-trifluoro-3,5-dinitro-
  • Trifluoromethyl-3,5-dinitro-4-chlorobenzene
  • UNII-T97IUB50MN

Systematic Names

  • 4-Chloro-3,5-dinitro-alpha,alpha,alpha-trifluorotoluene
  • 4-Chloro-3,5-dinitrobenzotrifluoride
  • Benzene, 2-chloro-1,3-dinitro-5-(trifluoromethyl)-
  • Toluene, 4-chloro-3,5-dinitro-alpha,alpha,alpha-trifluoro-

Superlist Name

  • Toluene, 4-chloro-alpha,alpha,alpha-trifluoro-3,5-dinitro-

Registry Numbers

CAS Registry Number

  • 393-75-9

FDA UNII

  • T97IUB50MN

System Generated Number

  • 0000393759

Structure Descriptors

InChI

1S/C7H2ClF3N2O4/c8-6-4(12(14)15)1-3(7(9,10)11)2-5(6)13(16)17/h1-2H

InChIKey

HFHAVERNVFNSHL-UHFFFAOYSA-N

Smiles

c1(c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])Cl)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 161mg/kg (161mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
National Technical Information Service. Vol. OTS0546185,
rat LD50 oral 930mg/kg (930mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Annali dell'Istituto Superiore di Sanita. Vol. 19, Pg. 351, 1983.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 57 deg C   EXP
log P (octanol-water) 2.5 (none)   EXP
Water Solubility 54.2 mg/L 25 EST
Vapor Pressure 1.34E-04 mm Hg 25 EST
Henry's Law Constant 5.40E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.60E-16 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.