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

C3H7ClO2CAS 57090-45-6110.54 g/mol

Open in Covalent MOL file
HOOHCl
AlcoholAlkyl halide

Properties

Molecular formula
C3H7ClO2
Molar mass
110.54 g/mol
Exact mass
110.0135 Da
Melting point
1 °C
Boiling point
100–105 °C (at 3 Torr)
logP
-0.42Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2
Stereocentres
Rin SMILES atom order

Hazards

Danger
Corrosive (GHS05)Acute Toxic (GHS06)Irritant (GHS07)

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

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, P405, P501

Identifiers

CAS number
57090-45-6
SMILES
OC[C@@H](O)CCl
InChIKey
SSZWWUDQMAHNAQ-VKHMYHEASA-N
InChI
InChI=1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2/t3-/m0/s1

Weigh it out

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

Names and synonyms

9 names
  • (-)-3-Chloro-1,2-propanediol
  • 1,2-Propanediol, 3-chloro-, (2R)-
  • 1,2-Propanediol, 3-chloro-, (R)-
  • (R)-α-Chlorohydrin
  • (R)-3-Chloro-1,2-propanediol
  • (R)-(-)-3-Chloro-1,2-propanediol
  • (R)-Monochlorohydrin
  • (R)-3-Chloropropan-1,2-diol
  • 1,2-Propanediol 3-chloro-, (2R)-

Work with (2R)-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.

(+)-3-Chloro-1,2-propanediol60827-45-4Enantiomer 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

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