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Substance Name: 1,1,1-Trichloropropane
RN: 7789-89-1
UNII: L2DQH157P9
InChIKey: AVGQTJUPLKNPQP-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C3-H5-Cl3

Molecular Weight

  • 147.432
 
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Names and Synonyms

Name of Substance

  • 1,1,1-Trichloropropane

Synonyms

  • 1,1,1-Trichloropropane
  • 4-01-00-00198 (Beilstein Handbook Reference)
  • BRN 1731972
  • UNII-L2DQH157P9

Systematic Name

  • Propane, 1,1,1-trichloro-

Registry Numbers

CAS Registry Number

  • 7789-89-1

FDA UNII

  • L2DQH157P9

System Generated Number

  • 0007789891

Structure Descriptors

InChI

1S/C3H5Cl3/c1-2-3(4,5)6/h2H2,1H3

InChIKey

AVGQTJUPLKNPQP-UHFFFAOYSA-N

Smiles

C(CC)(Cl)(Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 20mL/kg (20mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LCLo inhalation 8000ppm/4H (8000ppm)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral 7460mg/kg (7460mg/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 108 deg C   EXP
log P (octanol-water) 3.170 (none)   EST
Water Solubility 1900 mg/L 25 EXP
Vapor Pressure 31.6 mm Hg 25 EXP
Henry's Law Constant 3.23E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.32E-13 cm3/molecule-sec 25 EST

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