moleculefinder

Chloral hydrate

C2H3Cl3O2165.4 g/mol Calculated

Also called chloral monohydrate.

A Victorian sedative, the original knockout drops of detective fiction, now almost entirely replaced by safer sleep medicines.

Sources and notes
  • The introductionfrom sourceMoleculeFinder curated
  • Other namesfrom sourceWikidataIts English label and aliases on Wikidata.
  • Formula and weightcomputedPubChem
  • 2D drawingcomputedPubChem structure, drawn by RDKit
  • 3D modelfrom sourcePubChem 3D conformerLoaded after the page has painted, and on a phone only when you ask for it; the 2D drawing shows until it arrives.

Where you encounter it

Dispensed on prescription, not sold on a shelf.

Sources and notes
  • The line abovefrom sourceMoleculeFinder curatedFrom the group the molecule belongs to.

Explore its structure

Choose a part to light it up.

An O-H on a carbon that is not part of an aromatic ring, the group that makes a molecule an alcohol. It both gives and accepts hydrogen bonds, which helps the molecule mix with water.

From: standard chemistry.

Sources and notes
  • The drawingcomputedPubChem structure, drawn by RDKitThe page's one shipped drawing, with the chosen part lit in amber under it.
  • The partscomputedFound by ruleEach part is found by a chemical pattern, never picked by hand atom by atom; its words say where they come from.

Properties and sources

Calculated by PubChem

Molecular formula
C2H3Cl3O2
Molecular weight
165.4 g/mol
XLogP3octanol/water, log units
1
Polar surface areatopological
40.5 Ų
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
0
Complexity
56

Measured LD50, HSDB via PubChem

479 mg/kg pure chloral hydrate, rat, oral

An LD50 is an animal study measurement, not a dose for a person.

Reported Hazard label (GHS), ECHA, EU CLP Regulation, Safe Work Australia via PubChem

Danger Toxic pictogram (GHS06) and Irritant pictogram (GHS07); hazard statements H301, H315, H319

Reported Licence

The Medicines and Healthcare products Regulatory Agency licenses Chloral hydrate for human use. MHRA Products

Groups it belongs to

Category
Prescription medicine
Family
Sleep medicines
Chemical groups
Alcohols, Halogenated
Elements
Chlorine
Hazard classes
Acutely toxic, Irritant, GHS Danger
SMILESC(C(Cl)(Cl)Cl)(O)O

PubChem CID 2707 · Wikidata Q412340 · InChIKey RNFNDJAIBTYOQL-UHFFFAOYSA-N · Data refreshed

How MoleculeFinder sources and labels its data

Questions
What is Chloral hydrate?
A Victorian sedative, the original knockout drops of detective fiction, now almost entirely replaced by safer sleep medicines.
How toxic is Chloral hydrate?
The reported LD50 of Chloral hydrate is 479 mg/kg (rat, oral). An LD50 is an animal study measurement, not a dose for a person. Its GHS hazard label carries the signal word Danger and the hazard pictograms Toxic and Irritant. from sourcefrom source
What kind of molecule is Chloral hydrate?
Chloral hydrate has the formula C2H3Cl3O2 and a molecular weight of 165.4 g/mol. MoleculeFinder files it under sleep medicines, in the prescription medicine group. from sourcefrom sourcefrom sourcefrom source
What else is Chloral hydrate called?
Chloral hydrate is also called chloral monohydrate. from source
Who licenses Chloral hydrate as a medicine?
The Medicines and Healthcare products Regulatory Agency licenses Chloral hydrate for human use. from source
Sources and notes
  • Calculated valuescomputedPubChemComputed from the structure, so no laboratory conditions apply; complexity is PubChem's own structural score.
  • LD50from sourceHSDB via PubChemOther values the sources report: rat, on the skin, 3,030 mg/kg. The page shows the one LD50 the site uses everywhere.
  • Hazard labelfrom sourceECHA, EU CLP Regulation, Safe Work Australia via PubChemThe label combines these classifications.
  • ECHAfrom sourceAttributionSource: European Chemicals Agency, echa.europa.eu.
  • EU CLP Regulationfrom sourceAttributionSource: EUR-Lex, Regulation (EC) No 1272/2008, © European Union.
  • Safe Work Australiafrom sourceAttributionSource: Safe Work Australia, Hazardous Chemical Information System, © Commonwealth of Australia, CC BY 4.0.
  • Licencefrom sourceMHRA ProductsRead 2026-10-21. Contains public sector information licensed under the Open Government Licence v3.0.
  • Data refreshedfrom sourceMoleculeFinder2026-11-09