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Substance Name: Chloral alcoholate
RN: 515-83-3
UNII: JU3I94Z61H
InChIKey: DLHWKJDYXPNWAI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C4-H7-Cl3-O2

Molecular Weight

  • 193.456
 
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Names and Synonyms

Name of Substance

  • Chloral alcoholate
  • Chloral semiacetal

Synonyms

  • 1-Ethoxy-2,2,2-trichloroethanol
  • 2,2,2-Trichloro-1-ethoxyethanol
  • 4-01-00-03144 (Beilstein Handbook Reference)
  • BRN 1209355
  • Chloral alcoholate
  • Chloral ethylalcoholate
  • Chloral semiacetal
  • Chloral, ethyl hemiacetal
  • Chloralalkoholat
  • Chloralalkoholat [Czech]
  • EINECS 208-211-1
  • Ethanol chloral hemiacetal
  • Ethanol, 1-ethoxy-2,2,2-trichloro-
  • NSC 8411
  • Trichloroacetaldehyde monoethylacetal
  • UNII-JU3I94Z61H

Systematic Names

  • 2,2,2-Trichloro-1-ethoxyethanol
  • Ethanol, 2,2,2-trichloro-1-ethoxy-

Registry Numbers

CAS Registry Number

  • 515-83-3

FDA UNII

  • JU3I94Z61H

Other Registry Number

  • 110085-22-8

System Generated Number

  • 0000515833

Structure Descriptors

InChI

1S/C4H7Cl3O2/c1-2-9-3(8)4(5,6)7/h3,8H,2H2,1H3

InChIKey

DLHWKJDYXPNWAI-UHFFFAOYSA-N

Smiles

C([C@@H](OCC)O)(Cl)(Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo oral 500mg/kg (500mg/kg) BEHAVIORAL: SLEEP

GASTROINTESTINAL: NAUSEA OR VOMITING

BEHAVIORAL: COMA
Journal of Pharmacology and Experimental Therapeutics. Vol. 78, Pg. 340, 1943.
dog LDLo oral 1200mg/kg (1200mg/kg) BEHAVIORAL: SLEEP Journal of Pharmacology and Experimental Therapeutics. Vol. 78, Pg. 340, 1943.
rabbit LDLo oral 1100mg/kg (1100mg/kg) BEHAVIORAL: SLEEP Journal of Pharmacology and Experimental Therapeutics. Vol. 78, Pg. 340, 1943.
rat LD50 oral 880mg/kg (880mg/kg) BEHAVIORAL: SLEEP Journal of Pharmacology and Experimental Therapeutics. Vol. 78, Pg. 340, 1943.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 56.5 deg C   EXP
Boiling Point 115.5 deg C   EXP
log P (octanol-water) 0.870 (none)   EST
Atmospheric OH Rate Constant 4.41E-12 cm3/molecule-sec 25 EST

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