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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

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
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

SENSE ORGANS AND SPECIAL SENSES: MIOSIS (PUPILLARY CONSTRICTION): EYE

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
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: EXCITEMENT

BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
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

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: COMA
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: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: EXCITEMENT

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

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: EXCITEMENT
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: EXCITEMENT

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA
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) BEHAVIORAL: GENERAL ANESTHETIC

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
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: EXCITEMENT

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 35(3), Pg. 14, 1970.
women TDLo oral 465mg/kg (465mg/kg) VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION

BEHAVIORAL: COMA

SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE
Acta Medica Scandinavica. Vol. 223, Pg. 269, 1988.
women TDLo oral 960mg/kg (960mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS"

CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP
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.