3-Chloropropionyl chloride

C₃H₄Cl₂OCAS 625-36-5126.96 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
Density: 1.3192 g/mL (at 20 °C)
Boiling point: 144 °C
logP: 1.38Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H290 May be corrosive to metals68.9% of notifiers
H302 Harmful if swallowed99.4% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage68.3% of notifiers
H330 Fatal if inhaled98.9% of notifiers

Aggregated from 180 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P260, P264, P264+P265, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P363, P390, P403+P233, P405, P406, P501

Identifiers

CAS number

625-36-5

SMILES

O=C(Cl)CCCl

InChIKey

INUNLMUAPJVRME-UHFFFAOYSA-N

InChI

InChI=1S/C3H4Cl2O/c4-2-1-3(5)6/h1-2H2

Weigh it out

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

Names and synonyms

11 names

Propanoyl chloride, 3-chloro-
Propionyl chloride, 3-chloro-
3-Chloropropanoyl chloride
β-Chloropropanoyl chloride
β-Chloropropionyl chloride
β-Chloropropionic acid chloride
ω-Chloropropanoyl chloride
ω-Chloropropionyl chloride
3-Chloropropionic acid chloride
NSC 84180
(Chloromethyl)acetyl chloride

Work with 3-Chloropropionyl 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

4-Chlorobutyryl chloride4635-59-070 % similar 5-Chlorovaleryl chloride1575-61-767 % similar Succinyl chloride543-20-465 % similar Adipoyl chloride111-50-258 % similar Glutaryl chloride2873-74-758 % similar Suberoyl chloride10027-07-355 % similar Sebacoyl chloride111-19-355 % similar Azelaoyl chloride123-98-855 % 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 2-Chloropropanoyl chloride7623-09-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook