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Substance Name: 1,2,3-Trichloropropane
RN: 96-18-4
UNII: 3MJ7QCK0Z0
InChIKey: CFXQEHVMCRXUSD-UHFFFAOYSA-N

Molecular Formula

  • C3-H5-Cl3

Molecular Weight

  • 147.432
 

Classification Codes

Classification Codes

  • Mutation Data
  • Reproductive Effect
  • Skin / Eye Irritant
  • Tumor Data

Superlist Classification Codes

  • 2011 CERCLA Priority List, Rank: 269
  • Overall Carcinogenic Evaluation: Group 2A
  • Reasonably Anticipated to be a Carcinogen
  • TWA (10 ppm); skin; Confirmed animal carcinogen with unknown relevance to humans
  • TWA 50 ppm (300 mg/m3)

Names and Synonyms

Name of Substance

  • 1,2,3-Trichloropropane

Synonyms

  • 1,2,3-Trichloropropane
  • 4-01-00-00199 (Beilstein Handbook Reference)
  • AI3-26040
  • Allyl trichloride
  • BRN 1732068
  • CCRIS 5874
  • EC 202-486-1
  • EINECS 202-486-1
  • Glycerol trichlorohydrin
  • Glyceryl trichlorohydrin
  • HSDB 1340
  • NCI-C60220
  • NSC 35403
  • Trichlorohydrin
  • Trichloropropane
  • UNII-3MJ7QCK0Z0

Systematic Names

  • 1,2,3-Trichloropropane
  • Propane, 1,2,3-trichloro-

Superlist Names

  • 1,2,3-Trichloropropane
  • Propane, 1,2,3-trichloro-

Registry Numbers

CAS Registry Number

  • 96-18-4

FDA UNII

  • 3MJ7QCK0Z0

System Generated Number

  • 0000096184

Structure Descriptors

InChI

1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2

InChIKey

CFXQEHVMCRXUSD-UHFFFAOYSA-N

Smiles

C(CCl)(CCl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo oral 200mg/kg (200mg/kg) LIVER: FATTY LIVER DEGERATION

LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), ZONAL"

BEHAVIORAL: SLEEP
American Journal of Hygiene. Vol. 16, Pg. 325, 1932.
guinea pig LD50 oral 340mg/kg (340mg/kg) BEHAVIORAL: ATAXIA

BLOOD: OTHER CHANGES

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Trudy Khar'kovskogo Meditsinskogo Instituta. Vol. 124, Pg. 27, 1976.
mouse LC50 inhalation 3400mg/m3/2H (3400mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 114, 1982.
mouse LD50 oral 369mg/kg (369mg/kg) BLOOD: OTHER CHANGES

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA
Trudy Khar'kovskogo Meditsinskogo Instituta. Vol. 124, Pg. 27, 1976.
rabbit LD50 oral 380mg/kg (380mg/kg) BEHAVIORAL: ATAXIA

BLOOD: OTHER CHANGES

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Trudy Khar'kovskogo Meditsinskogo Instituta. Vol. 124, Pg. 27, 1976.
rabbit LD50 skin 372uL/kg (0.372mL/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

GASTROINTESTINAL: OTHER CHANGES
National Technical Information Service. Vol. OTS0534994,
rat LCLo inhalation 500ppm/4H (500ppm)   Union Carbide Data Sheet. Vol. 3/20/1973,
rat LD50 oral 108uL/kg (0.108mL/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

LIVER: OTHER CHANGES

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
National Technical Information Service. Vol. OTS0534994,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.47E+01 deg C   EXP
Boiling Point 157 deg C   EXP
log P (octanol-water) 2.27 (none)   EXP
Water Solubility 1750 mg/L 25 EXP
Vapor Pressure 3.69 mm Hg 25 EXP
Henry's Law Constant 3.43E-04 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 3.51E-13 cm3/molecule-sec 25 EST

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