(+)-3-Chloro-1,2-propanediol

C₃H₇ClO₂CAS 60827-45-4110.54 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₃H₇ClO₂
Molar mass: 110.54 g/mol
Exact mass: 110.0135 Da
logP: -0.42Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Hazards

Danger

H301 Toxic if swallowed97.9% of notifiers
H312 Harmful in contact with skin95.7% of notifiers
H315 Causes skin irritation12.8% of notifiers
H318 Causes serious eye damage100% of notifiers
H330 Fatal if inhaled10.6% of notifiers
H360 May damage fertility or the unborn child10.6% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P318, P320, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

60827-45-4

SMILES

OC[C@H](O)CCl

InChIKey

SSZWWUDQMAHNAQ-GSVOUGTGSA-N

InChI

InChI=1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2/t3-/m1/s1

Weigh it out

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

Names and synonyms

11 names

1,2-Propanediol, 3-chloro-, (2S)-
1,2-Propanediol, 3-chloro-, (S)-
(2S)-3-Chloro-1,2-propanediol
S-(+)-α-Chlorohydrin
(S)-3-Chloro-1,2-propanediol
(S)-α-Chlorohydrin
(S)-(+)-3-Chloro-1,2-propanediol
(S)-Monochlorohydrin
(2S)-3-Chloropropane-1,2-diol
1,2-Propanediol 3-chloro-, (2S)-
Alpha-Chlorohydrin, (+)-

Work with (+)-3-Chloro-1,2-propanediol

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 Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(2R)-3-Chloro-1,2-propanediol57090-45-6Enantiomer 3-Mcpd96-24-2Stereo not defined

Similar compounds

1,3-Dichloropropan-2-ol96-23-165 % similar Polyglycerol25618-55-759 % similar Glycerol56-81-559 % similar 1,2-Butanediol26171-83-545 % similar 1,2,4-Butanetriol3068-00-645 % similar (2R)-1,2-Butanediol40348-66-145 % similar (-)-1,2,4-Butanetriol42890-76-645 % similar 1,2-Butanediol584-03-245 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook