2-Butenoyl chloride

C₄H₅ClOCAS 10487-71-5104.53 g/mol

Open in Covalent MOL file

Acyl halide Alkene

Properties

Molecular formula: C₄H₅ClO
Molar mass: 104.53 g/mol
Exact mass: 104.0029 Da
Density: 1.0905 g/mL (at 20 °C)
Boiling point: 124.5 °C
logP: 1.33Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

10487-71-5

SMILES

CC=CC(=O)Cl

InChIKey

RJUIDDKTATZJFE-UHFFFAOYSA-N

InChI

InChI=1S/C4H5ClO/c1-2-3-4(5)6/h2-3H,1H3

Weigh it out

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

Names and synonyms

3 names

Crotonoyl chloride
Crotonic acid chloride
β-Methylacryloyl chloride

Work with 2-Butenoyl 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

3-Ethoxy-2-propenoyl chloride6191-99-744 % similar 3-Methyl-2-butenoyl chloride3350-78-543 % similar 4-Hexen-3-one2497-21-442 % similar 3-Penten-2-one625-33-241 % similar Acryloyl chloride814-68-641 % similar Cinnamoyl chloride102-92-139 % similar Crotonic acid107-93-739 % similar Crotonic acid3724-65-039 % similar

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

Same formula

Cyclopropanecarbonyl chloride4023-34-1 trans-Crotonyl chloride625-35-4 Methacryloyl chloride920-46-7

Elsewhere

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