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Substance Name: 3,4-Dichlorobenzotrifluoride
RN: 328-84-7
UNII: 7G60XCU4GG
InChIKey: XILPLWOGHPSJBK-UHFFFAOYSA-N

Classification Code

  • Environmental Pollutants

Molecular Formula

  • C7-H3-Cl2-F3

Molecular Weight

  • 215.001
 
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Names and Synonyms

Name of Substance

  • 3,4-Dichlorobenzotrifluoride

Synonyms

  • 1,2-Dichloro-4-(trifluoromethyl)benzene
  • 3,4-Dichloro-alpha,alpha,alpha-trifluorotoluene
  • 3,4-Dichlorobenzotrifluoride
  • 3,4-Dichlorophenyltrifluoromethane
  • Benzene, 1,2-dichloro-4-(trifluoromethyl)-
  • CCRIS 9435
  • EC 206-337-1
  • EINECS 206-337-1
  • HSDB 6126
  • Toluene, 3,4-dichloro-alpha,alpha,alpha-trifluoro-
  • UNII-7G60XCU4GG

Systematic Names

  • 3,4-Dichloro-alpha,alpha,alpha-trifluorotoluene
  • Benzene, 1,2-dichloro-4-(trifluoromethyl)-
  • Toluene, 3,4-dichloro-alpha,alpha,alpha-trifluoro- (6CI,8CI)

Superlist Name

  • Toluene, 3,4-dichloro-alpha,alpha,alpha-trifluoro-

Registry Numbers

CAS Registry Number

  • 328-84-7

FDA UNII

  • 7G60XCU4GG

System Generated Number

  • 0000328847

Structure Descriptors

InChI

1S/C7H3Cl2F3/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H

InChIKey

XILPLWOGHPSJBK-UHFFFAOYSA-N

Smiles

C(c1cc(c(Cl)cc1)Cl)(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" National Technical Information Service. Vol. OTS0526750,
rat LC inhalation > 15860mg/m3/4 (15860mg/m3) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. OTS0526717,
rat LD skin > 5mL/kg (5mL/kg)   National Technical Information Service. Vol. OTS0526760,
rat LD50 oral 1960uL/kg (1.96mL/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES National Technical Information Service. Vol. OTS0526715,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.25E+01 deg C   EXP
Boiling Point 173.5 deg C   EXP
log P (octanol-water) 4.240 (none)   EST
Water Solubility 18.8 mg/L 25 EST
Vapor Pressure 2.36 mm Hg 25 EXP
Henry's Law Constant 0.026 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.05E-14 cm3/molecule-sec 25 EST

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