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Substance Name: alpha,alpha,alpha-Trichloro-4-chlorotoluene
RN: 5216-25-1
UNII: 1UP9GJU33S
InChIKey: LVZPKYYPPLUECL-UHFFFAOYSA-N

Molecular Formula

  • C7-H4-Cl4

Molecular Weight

  • 229.9206
 
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Names and Synonyms

Name of Substance

  • alpha,alpha,alpha-Trichloro-4-chlorotoluene

Synonyms

  • 1-Chloro-4-(trichloromethyl)benzene
  • 4-05-00-00823 (Beilstein Handbook Reference)
  • 4-Chlorobenzotrichloride
  • AI3-02822
  • alpha,alpha,alpha,4-Tetrachlorotoluene
  • BRN 1866549
  • CCRIS 8902
  • EC 226-009-1
  • EINECS 226-009-1
  • p,alpha,alpha,alpha-Tetrachlorotoluene
  • p-Chlorobenzotrichloride
  • p-Chlorophenyltrichloromethane
  • p-Trichloromethylchlorobenzene
  • UNII-1UP9GJU33S

Systematic Names

  • alpha,alpha,alpha,4-Tetrachlorotoluene
  • Benzene, 1-chloro-4-(trichloromethyl)-
  • Toluene, alpha,alpha,alpha,p-tetrachloro-

Superlist Names

  • p,alpha,alpha,alpha-Tetrachlorotoluene
  • Toluene, p,alpha,alpha,alpha-tetrachloro-

Registry Numbers

CAS Registry Number

  • 5216-25-1

FDA UNII

  • 1UP9GJU33S

System Generated Number

  • 0005216251

Structure Descriptors

InChI

1S/C7H4Cl4/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H

InChIKey

LVZPKYYPPLUECL-UHFFFAOYSA-N

Smiles

C(c1ccc(cc1)Cl)(Cl)(Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 125mg/m3 (125mg/m3) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: STRUCTURAL OR FUNCTIONAL CHANGE IN TRACHEA OR BRONCHI

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 28(6), Pg. 41, 1984.
mouse LD50 oral 700mg/kg (700mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 28(6), Pg. 41, 1984.
rabbit LD50 skin > 2gm/kg (2000mg/kg)   United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0281-0360,
rat LC50 inhalation 125mg/m3 (125mg/m3) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: STRUCTURAL OR FUNCTIONAL CHANGE IN TRACHEA OR BRONCHI
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 28(6), Pg. 41, 1984.
rat LD50 oral 820mg/kg (820mg/kg) BEHAVIORAL: TREMOR

SENSE ORGANS AND SPECIAL SENSES: CHROMODACYRORREA: EYE

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0281-0360,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 245 deg C   EXP
log P (octanol-water) 4.540 (none)   EST
Water Solubility 4.040 mg/L 25 EST
Vapor Pressure 0.038 mm Hg 25 EST
Henry's Law Constant 1.93E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.51E-13 cm3/molecule-sec 25 EST

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