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Substance Name: Chloral hydrate [USP:BAN:JAN]
RN: 302-17-0
UNII: 418M5916WG
InChIKey: RNFNDJAIBTYOQL-UHFFFAOYSA-N

Note

  • A hypnotic and sedative used in the treatment of INSOMNIA.

Molecular Formula

  • C2-H3-Cl3-O2

Molecular Weight

  • 165.403
 

Classification Codes

Classification Codes

  • Central Nervous System Agents
  • Central Nervous System Depressants
  • Drug / Therapeutic Agent
  • Human Data
  • Hypnotics and Sedatives
  • Mutation Data
  • Reproductive Effect
  • Sedative-Hypnotic
  • Tumor Data

Superlist Classification Codes

  • DEA Schedule IV
  • Overall Carcinogenic Evaluation: Group 3

Names and Synonyms

Name of Substance

  • Chloral hydrate
  • Chloral hydrate [USP:BAN:JAN]

MeSH Heading

  • Chloral hydrate

Synonyms

  • 1,1,1-Trichloro-2,2-dihydroxyethane
  • 1,1,1-Trichloro-2,2-ethanediol
  • 2,2,2-Trichloro-1,1-ethanediol
  • 4-01-00-03143 (Beilstein Handbook Reference)
  • AI3-00082
  • Aquachloral
  • Bi 3411
  • BRN 1698497
  • Caswell No. 168
  • CCRIS 4142
  • Chloradorm
  • Chloral hydrate
  • Chloral monohydrate
  • Chloraldural
  • Chloraldural [Swiss]
  • Chloraldurat
  • Chloraldurat [German]
  • Chloralex
  • Chlorali Hydras
  • Chloralvan
  • Cohidrate
  • Dormal
  • EINECS 206-117-5
  • EPA Pesticide Chemical Code 268100
  • Escre
  • Felsules
  • HSDB 222
  • Hydrate de chloral
  • Hynos
  • Kessodrate
  • Kloralhydrat
  • Knockout drops
  • Lorinal
  • Noctec
  • Novochlorhydrate
  • NSC 3210
  • Nycoton
  • Nycton
  • Oradrate
  • Phaldrone
  • Rectules
  • SK-Chloral Hydrate
  • Somni SED
  • Somnos
  • Somnote
  • Sontec
  • Tosyl
  • Trawotox
  • Trichloracetaldehyd-hydrat
  • Trichloracetaldehyd-hydrat [German]
  • Trichloroacetaldehyde hydrate
  • Trichloroacetaldehyde monohydrate
  • Trichloroacetaldehyde, hydrated
  • UNII-418M5916WG

Systematic Names

  • 1,1-Ethanediol, 2,2,2-trichloro-
  • 2,2,2-Trichloroethane-1,1-diol
  • Chloral hydrate
  • Chloralhydrate
  • Ethanediol, 2,2,2-trichloro-

Superlist Names

  • Chloral hydrate
  • DEA No. 2465

Registry Numbers

CAS Registry Number

  • 302-17-0

FDA UNII

  • 418M5916WG

Other Registry Number

  • 109128-19-0

System Generated Number

  • 0000302170

Structure Descriptors

InChI

1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H

InChIKey

RNFNDJAIBTYOQL-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo oral 400mg/kg (400mg/kg) BEHAVIORAL: SLEEP Journal of Pharmacology and Experimental Therapeutics. Vol. 78, Pg. 340, 1943.
cattle LDLo intravenous 10mg/kg (10mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.
cattle LDLo oral 30mg/kg (30mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.
cattle LDLo rectal 30mg/kg (30mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.
child TDLo intravenous 39mg/kg (39mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Journal of Toxicology, Clinical Toxicology. Vol. 34, Pg. 101, 1996.
child TDLo intravenous 88mg/kg (88mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Journal of Toxicology, Clinical Toxicology. Vol. 34, Pg. 101, 1996.
child TDLo oral 70mg/kg (70mg/kg) CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

SENSE ORGANS AND SPECIAL SENSES: MIOSIS (PUPILLARY CONSTRICTION): EYE
Journal of Pediatrics. Vol. 131, Pg. 787, 1997.
child TDLo oral 219mg/kg (219mg/kg) CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION) Journal of Toxicology, Clinical Toxicology. Vol. 34, Pg. 101, 1996.
child TDLo rectal 97mg/kg (97mg/kg) CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP Anesthesia and Analgesia Vol. 65, Pg. 691, 1986.
child TDLo unreported 48mg/kg/6H-I (48mg/kg) CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP Anesthesia and Analgesia Vol. 65, Pg. 691, 1986.
dog LDLo intravenous 180mg/kg (180mg/kg) BEHAVIORAL: GENERAL ANESTHETIC "Nachprufung der Toxicitat von Novocain und Tutocain bei Chloralisierten Tieren, Dissertation," Barke, A., Pharmakologischen Institut der Tierarztlichen Hochschule zu Hannover, Fed. Rep. Ger., 1936Vol. -, Pg. -, 1936.
dog LDLo oral 1gm/kg (1000mg/kg) BEHAVIORAL: SLEEP Journal of Pharmacology and Experimental Therapeutics. Vol. 78, Pg. 340, 1943.
frog LDLo oral 938mg/kg (938mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 8, Pg. 77, 1901.
frog LDLo parenteral 900mg/kg (900mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 166, Pg. 437, 1932.
guinea pig LD50 unreported 940mg/kg (940mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: EXCITEMENT
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 35(3), Pg. 14, 1970.
guinea pig LDLo intraarterial 400mg/kg (400mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 131, Pg. 171, 1928.
guinea pig LDLo intravenous 400mg/kg (400mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 131, Pg. 171, 1928.
human LDLo oral 4mg/kg (4mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING

SENSE ORGANS AND SPECIAL SENSES: MIOSIS (PUPILLARY CONSTRICTION): EYE
"Pharmacology: Basis of Therapy," 3rd ed., Goodman, L.S., ed., New York, Macmillan Pub. Co., 1967Vol. 3, Pg. 132, 1967.
human TDLo oral 300mg/kg (300mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION)

VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION
British Medical Journal. Vol. 2, Pg. 994, 1977.
infant TDLo unreported 160mg/kg/3D-I (160mg/kg) CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION) Anesthesia and Analgesia Vol. 65, Pg. 691, 1986.
man LDLo unreported 103mg/kg (103mg/kg)   "Poisoning; Toxicology, Symptoms, Treatments," 2nd ed., Arena, J.M., Springfield, IL, C.C. Thomas, 1970Vol. 2, Pg. 73, 1970.
man TDLo oral 1gm/kg (1000mg/kg) CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP

BEHAVIORAL: COMA

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Journal of Toxicology, Clinical Toxicology. Vol. 34, Pg. 97, 1996.
mouse LD50 intraperitoneal 580mg/kg (580mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Arzneimittel-Forschung. Drug Research. Vol. 10, Pg. 665, 1960.
mouse LD50 intravenous 530mg/kg (530mg/kg)   Annales Pharmaceutiques Francaises. Vol. 38, Pg. 65, 1980.
mouse LD50 oral 1100mg/kg (1100mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 106, Pg. 444, 1952.
mouse LD50 unreported 850mg/kg (850mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 35(3), Pg. 14, 1970.
mouse LDLo subcutaneous 800mg/kg (800mg/kg) BEHAVIORAL: EXCITEMENT

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: GENERAL ANESTHETIC
Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 166, Pg. 437, 1932.
pigeon LDLo oral 300mg/kg (300mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.
rabbit LD50 unreported 1400mg/kg (1400mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 35(3), Pg. 14, 1970.
rabbit LDLo intravenous 400mg/kg (400mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 63, Pg. 453, 1938.
rabbit LDLo oral 1200mg/kg (1200mg/kg) BEHAVIORAL: GENERAL ANESTHETIC Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 132, Pg. 214, 1928.
rabbit LDLo rectal 1gm/kg (1000mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: GENERAL ANESTHETIC
Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 132, Pg. 214, 1928.
rabbit LDLo subcutaneous 1gm/kg (1000mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: GENERAL ANESTHETIC
Zeitschrift fuer Experimentelle Pathologie und Therapie. Vol. 18, Pg. 61, 1916.
rat LD50 intraperitoneal 472mg/kg (472mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 41, Pg. 100, 1952.
rat LD50 oral 479mg/kg (479mg/kg)   Toxicology and Applied Pharmacology. Vol. 18, Pg. 185, 1971.
rat LD50 parenteral 710mg/kg (710mg/kg)   Drugs in Japan Vol. 6, Pg. 784, 1982.
rat LD50 rectal 710mg/kg (710mg/kg)   Drugs in Japan Vol. -, Pg. 1114, 1990.
rat LD50 skin 3030mg/kg (3030mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A065, Pg. 1984,
rat LD50 unreported 725mg/kg (725mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA

BEHAVIORAL: EXCITEMENT
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 35(3), Pg. 14, 1970.
women TDLo oral 465mg/kg (465mg/kg) BEHAVIORAL: COMA

SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION
Acta Medica Scandinavica. Vol. 223, Pg. 269, 1988.
women TDLo oral 960mg/kg (960mg/kg) CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP

BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS"

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Journal of Toxicology, Clinical Toxicology. Vol. 34, Pg. 101, 1996.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 57 deg C   EXP
Boiling Point 98 deg C   EXP
log P (octanol-water) 0.99 (none)   EXP
Water Solubility 3.83E+06 mg/L 38 EXP
Vapor Pressure 15 mm Hg 25 EXP
Henry's Law Constant 5.71E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.92E-12 cm3/molecule-sec 25 EST

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