(S)-1-Chloro-2-propanol

C₃H₇ClOCAS 37493-16-694.54 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₃H₇ClO
Molar mass: 94.54 g/mol
Exact mass: 94.0185 Da
Boiling point: 68–70 °C (at 70 Torr)
logP: 0.61Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

37493-16-6

SMILES

C[C@H](O)CCl

InChIKey

YYTSGNJTASLUOY-VKHMYHEASA-N

InChI

InChI=1S/C3H7ClO/c1-3(5)2-4/h3,5H,2H2,1H3/t3-/m0/s1

Weigh it out

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

Names and synonyms

4 names

2-Propanol, 1-chloro-, (2S)-
2-Propanol, 1-chloro-, (S)-
(+)-1-Chloro-2-propanol
(2S)-1-Chloropropan-2-ol

Work with (S)-1-Chloro-2-propanol

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.

(R)-1-Chloro-2-propanol19141-39-0Enantiomer 1-Chloro-2-propanol127-00-4Stereo not defined

Similar compounds

R-(-)-1,2-Propanediol4254-14-253 % similar (+)-1,2-Propanediol4254-15-353 % similar Propylene glycol57-55-653 % similar (2R,5R)-2,5-Hexanediol17299-07-950 % similar 2,5-Hexanediol2935-44-650 % similar (2S,5S)-(+)-Hexanediol34338-96-050 % similar (2R,4R)-(-)-Pentanediol42075-32-150 % similar 2,4-Pentanediol625-69-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-(+)-2-Chloropropan-1-ol19210-21-0 (Chloromethoxy)ethane3188-13-4 (R)-(-)-2-Chloropropan-1-ol37493-14-4 3-Chloro-1-propanol627-30-5 2-Chloroethyl methyl ether627-42-9 Propylene chlorohydrin78-89-7

Elsewhere

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