(S)-(-)-2-Chloropropionic acid

C₃H₅ClO₂CAS 29617-66-1108.52 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₃H₅ClO₂
Molar mass: 108.52 g/mol
Exact mass: 107.9978 Da
Boiling point: 75 °C (at 10 Torr)
logP: 0.70Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

Danger

H302 Harmful if swallowedAcute toxicity, oral
H312 Harmful in contact with skinAcute toxicity, dermal
H314 Causes severe skin burns and eye damageSkin corrosion/irritation

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501

Identifiers

CAS number

29617-66-1

SMILES

C[C@H](Cl)C(=O)O

InChIKey

GAWAYYRQGQZKCR-REOHCLBHSA-N

InChI

InChI=1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)/t2-/m0/s1

Weigh it out

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

Names and synonyms

18 names · show all

(2S)-2-Chloropropanoic acid
Propanoic acid, 2-chloro-, (2S)-
Propionic acid, 2-chloro-, L-
Propanoic acid, 2-chloro-, (S)-
2-Chloro-L-propionic acid
2(S)-Chloropropionic acid
(S)-2-Chloropropionic acid
L-2-Chloropropanoic acid
L-2-Chloropropionic acid
α-L-Chloropropionic acid
(S)-2-Chloropropanoic acid
S-(-)-2-Chloropropionic acid
(2S)-Chloropropanoic acid
(-)-2-Chloropropionic acid
(-)-2-Chloropropanoic acid
(-)-α-Chloropropanoic acid
(S)-α-Chloropropionic acid
(2S)-2-Chloropropionic acid

Reactions

(S)-2-Chloroalkanoic acids of high enantiomeric purity from (S)-2-amino acids: (S)-2-chloropropanoic acid (Propanoic acid, 2-chloro-, (S)-)product

Work with (S)-(-)-2-Chloropropionic acid

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)-(+)-2-Chloropropionic acid7474-05-7Enantiomer 2-Chloropropionic acid598-78-7Stereo not defined

Similar compounds

(2S)-2-Chloro-3-methylbutanoic acid26782-74-152 % similar Methylmalonic acid516-05-250 % similar Isobutyric acid79-31-250 % similar Dichloroacetic acid79-43-650 % similar (S)-2-Chloro-4-methyl-N-valeric acid28659-81-646 % similar Diisopropylammonium dichloroacetate660-27-546 % similar D-Lactic acid10326-41-746 % similar Poly[(+)-lactic acid]106989-11-146 % similar

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

Same formula

3-Chloropropionic acid107-94-8 Methoxyacetyl chloride38870-89-2 Ethyl chloroformate541-41-3 Methyl chloroacetate96-34-4

Elsewhere

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