2-Chloropropanoyl chloride

C₃H₄Cl₂OCAS 7623-09-8126.96 g/mol

Open in Covalent MOL file

Acyl halide Alkyl halide

Properties

Molecular formula: C₃H₄Cl₂O
Molar mass: 126.96 g/mol
Exact mass: 125.9639 Da
Boiling point: 144 °C
logP: 1.38Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed32.3% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H335 May cause respiratory irritation17.7% of notifiers

Aggregated from 62 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

7623-09-8

SMILES

CC(Cl)C(=O)Cl

InChIKey

JEQDSBVHLKBEIZ-UHFFFAOYSA-N

InChI

InChI=1S/C3H4Cl2O/c1-2(4)3(5)6/h2H,1H3

Weigh it out

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

Names and synonyms

9 names

Propanoyl chloride, 2-chloro-
Propionyl chloride, 2-chloro-
2-Chloropropionyl chloride
α-Chloropropionyl chloride
α-Chloropropanoyl chloride
α-Chloropropionic acid chloride
α-Methylchloroacetyl chloride
(±)-2-Chloropropionyl chloride
2-Chloro-2-methylacetyl chloride

Work with 2-Chloropropanoyl chloride

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

Isobutyryl chloride79-30-152 % similar 3-Chloro-2-butanone4091-39-848 % similar Dichloroacetyl chloride79-36-748 % similar (S)-(-)-2-Chloropropionic acid29617-66-146 % similar 2-Chloropropionic acid598-78-746 % similar 2-Bromopropanoyl chloride7148-74-546 % similar (R)-(+)-2-Chloropropionic acid7474-05-746 % similar Methyl 2-chloropropionate17639-93-942 % similar

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

Same formula

2,3-Dichloropropanal10140-89-3 1,1-Dichloroacetone513-88-2 Bis(chloromethyl) ketone534-07-6 3-Chloropropionyl chloride625-36-5

Elsewhere

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