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Substance Name: 4-Chloro-3-nitrobenzotrifluoride
RN: 121-17-5
UNII: 82344306TN
InChIKey: TZGFQIXRVUHDLE-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant

Molecular Formula

  • C7-H3-Cl-F3-N-O2

Molecular Weight

  • 225.553
 
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Names and Synonyms

Name of Substance

  • 4-Chloro-3-nitrobenzotrifluoride
  • 4-Chloro-alpha,alpha,alpha-trifluoro-3-nitrotoluene

Synonyms

  • 2-Chloro-5-(trifluoromethyl)nitrobenzene
  • 2-Nitro-4-trifluoromethylchlorobenzene
  • 3-Nitro-4-chloro-alpha,alpha,alpha-trifluorotoluene
  • 3-Nitro-4-chlorobenzotrifluoride
  • 3-Nitro-4-chlorotrifluoromethylbenzene
  • 4-05-00-00857 (Beilstein Handbook Reference)
  • 4-Chloro-3-nitro-1-(trifluoromethyl)benzene
  • 4-Chloro-3-nitro-alpha,alpha,alpha-trifluorotoluene
  • 4-Chloro-3-nitrobenzotrifluoride
  • 4-Chloro-3-nitrobenzylidyne fluoride
  • 4-Chloro-alpha,alpha,alpha-trifluoro-3-nitrotoluene
  • AI3-26184
  • Benzene, 1-chloro-2-nitro-4-(trifluoromethyl)-
  • Benzotrifluoride, 4-chloro-3-nitro-
  • BRN 0523986
  • CCRIS 2817
  • EC 204-451-6
  • EINECS 204-451-6
  • HSDB 4257
  • NSC 8760
  • Toluene, 4-chloro-alpha,alpha,alpha-trifluoro-3-nitro-
  • UNII-82344306TN

Systematic Names

  • 4-Chloro-3-nitrobenzotrifluoride
  • 4-Chloro-alpha,alpha,alpha-trifluoro-3-nitrotoluene
  • Benzene, 1-chloro-2-nitro-4-(trifluoromethyl)-
  • Toluene, 4-chloro-3-nitro-alpha,alpha,alpha-trifluoro-
  • Toluene, 4-chloro-alpha,alpha,alpha-trifluoro-3-nitro- (8CI)

Superlist Names

  • 2-Chloro-5-trifluoromethylnitrobenzene
  • 3-Nitro-4-chlorobenzotrifluoride
  • 3-Nitro-4-chlorobenzotrifluoride [UN2307] [Poison]
  • UN2307

Registry Numbers

CAS Registry Number

  • 121-17-5

FDA UNII

  • 82344306TN

System Generated Number

  • 0000121175

Structure Descriptors

InChI

1S/C7H3ClF3NO2/c8-5-2-1-4(7(9,10)11)3-6(5)12(13)14/h1-3H

InChIKey

TZGFQIXRVUHDLE-UHFFFAOYSA-N

Smiles

C(c1cc([N+](=O)[O-])c(Cl)cc1)(F)(F)F

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#07616,
mouse LD50 oral 400mg/kg (400mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 47(3), Pg. 88, 1982.
rabbit LD skin > 10gm/kg (10000mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
National Technical Information Service. Vol. OTS0537071,
rat LD50 oral 1075mg/kg (1075mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA

BEHAVIORAL: TREMOR
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 47(3), Pg. 88, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.50E+00 deg C   EXP
Boiling Point 222 deg C   EXP
log P (octanol-water) 3.420 (none)   EST
Atmospheric OH Rate Constant 3.45E-14 cm3/molecule-sec 25 EST

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