Chloral hydrate

C₂H₃Cl₃O₂CAS 302-17-0165.39 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₂H₃Cl₃O₂
Molar mass: 165.39 g/mol
Exact mass: 163.9199 Da
Density: 2–6 g/mL (at 20 °C)
Melting point: 57 °C
Boiling point: 98 °C
logP: 0.67Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Identifiers

CAS number

302-17-0

SMILES

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

InChIKey

RNFNDJAIBTYOQL-UHFFFAOYSA-N

InChI

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

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

22 names · show all

1,1-Ethanediol, 2,2,2-trichloro-
2,2,2-Trichloro-1,1-ethanediol
Chloral, monohydrate
Trichloroacetaldehyde hydrate
Trawotox
Bi 3411
Trichloroacetaldehyde monohydrate
Noctec
Nycton
Somnos
Lorinal
Chloraldurat
1,1,1-Trichloro-2,2-dihydroxyethane
Dormal
Phaldrone
Rectules
Hydral
Nycoton
SK Chloral hydrate
Escre
NSC 3210
Fagron

Work with Chloral hydrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Chloro-2,2-difluoro-1,1-ethanediol63034-47-942 % similar Pentachloroethane76-01-735 % similar 2,2,2-Trifluoro-1,1-ethanediol421-53-433 % similar 2,2,2-Trichloro-1-phenylethanol2000-43-332 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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