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Chloral hydrate

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Chloral hydrate Basic information

Product Name:
Chloral hydrate
CAS:
302-17-0
MF:
C2H3Cl3O2
MW:
165.4
EINECS:
206-117-5
Mol File:
302-17-0.mol
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Chloral hydrate Chemical Properties

Melting point:
57 °C(lit.)
Boiling point:
97 °C
Density 
1.43 g/mL at 20 °C
refractive index 
1.4603 (estimate)
Flash point:
16 °C
storage temp. 
0-6°C
solubility 
Very soluble in water, freely soluble in ethanol (96 per cent).
pka
10(at 25℃)
Specific Gravity
1.91
PH
3.5-5.5 (20℃, 10%)
Water Solubility 
660 g/100 mL
Merck 
13,2080
BRN 
1698497
Stability:
Stable, but may be air or light sensitive. Incompatible with alcohols, cyanides, iodine, strong bases, carbonates.
InChIKey
RNFNDJAIBTYOQL-UHFFFAOYSA-N
CAS DataBase Reference
302-17-0(CAS DataBase Reference)
NIST Chemistry Reference
Chloral hydrate(302-17-0)
EPA Substance Registry System
Chloral hydrate (302-17-0)
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Safety Information

Hazard Codes 
T,F,Xn
Risk Statements 
25-36/38-39/23/24/25-23/24/25-11-36/37/38-36-20/21/22
Safety Statements 
26-45-25-23-36/37-16-27
RIDADR 
UN 3286 3/PG 2
WGK Germany 
2
RTECS 
FM8750000
HazardClass 
6.1(b)
PackingGroup 
III
HS Code 
29055900
Hazardous Substances Data
302-17-0(Hazardous Substances Data)
Toxicity
LD50 oral in rat: 479mg/kg

MSDS

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Chloral hydrate Usage And Synthesis

Chemical Properties

colourless crystals with a pentrating odour

Chemical Properties

Chloral is a combustible, oily liquid with a pungent irritating odor.

Uses

Trichloroacetaldehyde Hydrate is a useful chemical reagent used as a sedative/hypnotic agent for the short-term treatment of insomnia. First developed in 1832, chloral hydrate is the oldest sleep medication still in use today. This medication is also used to calm you just before surgery or other procedures. It works by affecting certain parts of the brain to cause calmness.
Studies have shown that when used in pediatric sedation side effects such as hallucination, excessive sleep and seizures were observed. Drowsiness and trouble waking up in the morning, nausea, vomiting, stomach pain, diarrhea, and headache may occur. Stomach problems can be reduced by taking chloral hydrate with a full glass of water. It is sometimes administered to patients being treated with cyclophosphamide and it is known to inhibit some aldehyde dehydrogenases.
Besides, Chloral hydrate is a starting point for the synthesis of other organic compounds. It is the starting material for the production of chloral, which is produced by the distillation of a mixture of chloral hydrate and sulfuric acid, which serves as the desiccant.

Definition

ChEBI: An organochlorine compound that is the hydrate of trichloroacetaldehyde.

Biological Functions

Chloral hydrate (Noctec, Somnos) was developed in the late 1800s and is still used as a sedative–hypnotic agent. It is a hydrated aldehyde with a disagreeable smell and taste that is rapidly reduced in vivo to trichloroethanol, which is considered to be the active metabolite. It produces a high incidence of gastric irritation and allergic responses, occasionally causes cardiac arrhythmias, and is unreliable in patients with liver damage.

General Description

Chloral hydrate, trichloroacetaldehydemonohydrate, CCl3CH(OH)2 (Noctec), is analdehyde hydrate stable enough to be isolated. The relativestability of this gem-diol is largely a result of an unfavorabledipole–dipole repulsion between the trichloromethyl carbonand the carbonyl carbon present in the parent carbonylcompound.
Chloral hydrate is unstable in alkaline solutions, undergoingthe last step of the haloform reaction to yield chloroformand formate ion. In hydroalcoholic solutions, it formsthe hemiacetal with ethanol. Whether or not this compoundis the basis for the notorious and potentially lethal effect of the combination of ethanol and chloral hydrate (the “MickeyFinn”) is controversial. Synergism between two differentCNS depressants also could be involved. Additionally,ethanol, by increasing the concentration of nicotinamideadenine dinucleotide (NADH), enhances the reduction ofchloral to the more active metabolite trichloroethanol, andchloral can inhibit the metabolism of alcohol because it inhibitsalcohol dehydrogenase. Chloral hydrate is a weak acidbecause its CCl3 group is very strong electron withdrawing.A 10% aqueous solution of chloral hydrate has pH 3.5 to4.4, which makes it irritating to mucous membranes in thestomach. As a result, GI upset commonly occurs for thedrug if undiluted or taken on an empty stomach. Chloral hydrateas a capsule, syrup, or suppository is currently available.

General Description

Transparent colorless crystals or white crystalline solid. Aromatic penetrating slightly acrid odor and a slightly bitter caustic taste. Alcoholic solution (1 in 20) does not at once redden moistened blue litmus paper.

Air & Water Reactions

Water soluble.

Reactivity Profile

Chloral hydrate is incompatible with alkalis, alkaline earth metals, alkali carbonates and soluble barbiturates. Chloral hydrate is decomposed by sodium hydroxide. Chloral hydrate reduces ammoniacal silver nitrate. Chloral hydrate liquefies when triturated with an equal quantity of menthol, camphor or thymol. . Reaction of Chloral hydrate with hydroxylamine produces toxic hydrogen cyanide gas, Org. Synth., 1941, Vol. 1, 377.

Hazard

Overdose toxic, hypnotic drug, dangerous to eyes. Probable carcinogen.

Fire Hazard

Flash point data for Chloral hydrate are not available; however, Chloral hydrate is probably combustible.

Clinical Use

Although it is suggested that chloral hydrate per semay act as a hypnotic,chloral hydrate is very quickly convertedto trichloroethanol, which is generally assumed toaccount for almost all of the hypnotic effect. Thetrichloroethanol is metabolized by oxidation to chloral andthen to the inactive metabolite, trichloracetic acid, which is also extensively metabolized to acylglucuronidesvia conjugation with glucuronic acid. It appears tohave potent barbiturate-like binding to GABAAreceptors.Although an old drug, it still finds use as a sedative in nonoperatingroom procedures for the pediatric patient.

Safety Profile

A human poison by ingestion and possibly other routes. Poison experimentally by ingestion, intravenous, and rectal routes. Moderately toxic by subcutaneous, parenteral, and intraperitoneal routes, Experimental reproductive effects. Human systemic effects by ingestion: general anesthetic, cardiac arrhythmias, blood pressure depression, eye effects, coma, pulse rate increase, arrhythmias. Human mutation data reported. Questionable carcinogen with experimental carcinogenic and tumorigenic data by skin contact. A sedative, anesthetic, and narcotic. Combustible when exposed to heat or flame. When heated to decomposition it emits toxic fumes of Cl-.

Potential Exposure

Chloral is used as an intermediate in the manufacture of such pesticides as DDT, methoxychlor, DDVP, naled, trichlorfon, and TCA. Chloral is also used in the production of chloral hydrate; used as a therapeutic agent with hypnotic, sedative, and narcotic effects; used in a time prior to the introduction of barbiturates

Carcinogenicity

Chloral hydrate has not been adequately tested for teratogenicity, reproductive effects, or chronic toxicity. Similarly, no histological evaluations have been conducted.

Shipping

UN2811 Toxic solids, organic, n.o.s., Hazard Class: 6.1; Labels: 6.1-Poisonous materials, Technical Name Required.

Incompatibilities

Chloral hydrate reacts with strong bases forming chloroform. Contact with acids, or exposure to light may cause polymerization. Reacts with water, forming chloral hydrate. Reacts with oxidizers, with a risk of fire or explosions.

Waste Disposal

Incineration after mixing with another combustible fuel; care must be taken to assure complete combustion to prevent phosgene formation; an acid scrubber is necessary to remove the halo acids produced.

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Chloral hydrateSupplierMore

Yangzhou Aoxin Chemical Co., Ltd Gold
Tel:
0514-87754778;87754779
Email:
sales@aochem.com;sales@aochem.com
Shanghai Aladdin Bio-Chem Technology Co.,LTD Gold
Tel:
021-20337333-801
Email:
market@aladdin-e.com
Rhawn Reagent Gold
Tel:
400-1332688
Email:
amy@rhawn.cn
Shanghai Jizhi Biochemical Technology Co. Ltd. Gold
Tel:
400-900-4166
Email:
3007522970@qq.com
wuhan Bright Chemical Co.,Ltd Gold
Tel:
027-85583407-
Email:
purchase_peng@brightchemical.com.cn;
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