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Substance Name: 2,2,2-Trichloroethanol
RN: 115-20-8
UNII: AW835AJ62N
InChIKey: KPWDGTGXUYRARH-UHFFFAOYSA-N

Note

  • Proposed as basal anesthetic, hypnotic.

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C2-H3-Cl3-O

Molecular Weight

  • 149.404
 
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Names and Synonyms

Name of Substance

  • 2,2,2-Trichloroethanol

Synonyms

  • (Hydroxymethyl)trichloromethane
  • 2,2,2-Trichloro-1-ethanol
  • 2,2,2-Trichloroethanol
  • 2,2,2-Trichloroethyl alcohol
  • 4-01-00-01383 (Beilstein Handbook Reference)
  • BRN 1697495
  • CCRIS 6763
  • EINECS 204-071-0
  • NSC 66407
  • Trichlorethanol
  • Trichloroethanol
  • Trichloroethyl alcohol
  • UNII-AW835AJ62N

Systematic Names

  • 2,2,2-Trichloroethanol
  • Ethanol, 2,2,2-trichloro-

Registry Numbers

CAS Registry Number

  • 115-20-8

FDA UNII

  • AW835AJ62N

System Generated Number

  • 0000115208

Structure Descriptors

InChI

1S/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2

InChIKey

KPWDGTGXUYRARH-UHFFFAOYSA-N

Smiles

C(CO)(Cl)(Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 500mg/kg (500mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Current Researches in Anesthesia and Analgesia. Vol. 17, Pg. 258, 1938.
rabbit LDLo intravenous 50mg/kg (50mg/kg) BEHAVIORAL: SLEEP Journal of Pharmacology and Experimental Therapeutics. Vol. 63, Pg. 453, 1938.
rabbit LDLo rectal 500mg/kg (500mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Current Researches in Anesthesia and Analgesia. Vol. 17, Pg. 258, 1938.
rat LDLo intraperitoneal 300mg/kg (300mg/kg) BEHAVIORAL: GENERAL ANESTHETIC Journal of Pharmacology and Experimental Therapeutics. Vol. 63, Pg. 453, 1938.
rat LDLo oral 500mg/kg (500mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Current Researches in Anesthesia and Analgesia. Vol. 17, Pg. 258, 1938.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 19 deg C   EXP
Boiling Point 152 deg C   EXP
pKa Dissociation Constant 12.24 (none) 25 EXP
log P (octanol-water) 1.42 (none)   EXP
Water Solubility 8.33E+04 mg/L 25 EXP
Vapor Pressure 1.080 mm Hg 25 EST
Henry's Law Constant 1.56E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.45E-13 cm3/molecule-sec 25 EXP

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