Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Chloral
RN: 75-87-6
UNII: FLI06WS32H
InChIKey: HFFLGKNGCAIQMO-UHFFFAOYSA-N

Molecular Formula

  • C2-H-Cl3-O

Molecular Weight

  • 147.3879
 

Classification Codes

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • Tumor Data

Superlist Classification Codes

  • Overall Carcinogenic Evaluation: Group 3
  • Reportable Quantity (RQ) = 5000 lb

Names and Synonyms

Name of Substance

  • Chloral
  • Trichloroacetaldehyde

Synonyms

  • 2,2,2-Trichloroacetaldehyde
  • 4-01-00-03142 (Beilstein Handbook Reference)
  • Acetaldehyde, trichloro-
  • Anhydrous chloral
  • BRN 0506422
  • CCRIS 852
  • Chloral
  • Chloral (IUPAC)
  • Cloralio
  • Cloralio [Italian]
  • EINECS 200-911-5
  • Grasex
  • HSDB 2557
  • RCRA waste number U034
  • Trichloroacetaldehyde
  • Trichloroethanal
  • UNII-FLI06WS32H

Systematic Names

  • Acetaldehyde, 2,2,2-trichloro-
  • Acetaldehyde, trichloro-
  • Chloral
  • Trichloroacetaldehyde

Superlist Names

  • Acetaldehyde, trichloro-
  • Chloral
  • Chloral, anhydrous, inhibited
  • Chloral, anhydrous, inhibited [UN2075] [Poison]
  • RCRA waste no. U034
  • Trichloroacetaldehyde
  • UN2075

Registry Numbers

CAS Registry Number

  • 75-87-6

FDA UNII

  • FLI06WS32H

System Generated Number

  • 0000075876

Structure Descriptors

InChI

1S/C2HCl3O/c3-2(4,5)1-6/h1H

InChIKey

HFFLGKNGCAIQMO-UHFFFAOYSA-N

Smiles

C(C=O)(Cl)(Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LC50 inhalation 5900mg/m3/4H (5900mg/m3) BEHAVIORAL: ATAXIA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
National Technical Information Service. Vol. OTS0571197,
mammal (species unspecified) LD50 oral 710mg/kg (710mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(4), Pg. 86, 1974.
mouse LD50 intraperitoneal 600mg/kg (600mg/kg)   Bollettino Chimico Farmaceutico. Vol. 111, Pg. 293, 1972.
rat LC50 inhalation 440mg/m3/4H (440mg/m3) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. OTS0533728,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -5.75E+01 deg C   EXP
Boiling Point 97.8 deg C   EXP
pKa Dissociation Constant 9.66 (none) 30 EXP
log P (octanol-water) 0.99 (none)   EXP
Water Solubility 3.00E+04 mg/L 25 EXP
Vapor Pressure 50 mm Hg 25 EXP
Henry's Law Constant 2.91E-09 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 1.60E-12 cm3/molecule-sec 25 EXP

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