Isobutyryl chloride

C₄H₇ClOCAS 79-30-1106.55 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₇ClO
Molar mass: 106.55 g/mol
Exact mass: 106.0185 Da
Density: 1.0084 g/mL (at 25 °C)
Melting point: −90 °C
Boiling point: 92 °C
logP: 1.41Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

79-30-1

SMILES

CC(C)C(=O)Cl

InChIKey

DGMOBVGABMBZSB-UHFFFAOYSA-N

InChI

InChI=1S/C4H7ClO/c1-3(2)4(5)6/h3H,1-2H3

Weigh it out

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

Names and synonyms

14 names · show all

Propanoyl chloride, 2-methyl-
2-Methylpropanoyl chloride
Isobutyric acid chloride
2-Methylpropionyl chloride
Isobutyroyl chloride
Isobutanoyl chloride
α-Methylpropionyl chloride
Dimethylacetyl chloride
Chloro isopropyl ketone
2-Methylpropanoic acid chloride
2,2-Dimethylacetyl chloride
i-Butyryl chloride
Isopropanecarbonyl chloride
2-Propylcarbonyl chloride

Work with Isobutyryl 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

2-Chloropropanoyl chloride7623-09-852 % similar 2-Bromopropanoyl chloride7148-74-550 % similar Dichloroacetyl chloride79-36-745 % similar 2-Ethylbutyryl chloride2736-40-543 % similar Cyclopropanecarbonyl chloride4023-34-143 % similar 2-Methylpentanoyl chloride5238-27-742 % similar Diisopropyl ketone565-80-042 % similar (S)-(-)-2-Acetoxypropionyl chloride36394-75-941 % similar

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

Same formula

2-Chloroethyl vinyl ether110-75-8 Butyryl chloride141-75-3 3-Chloro-2-butanone4091-39-8 2-(Chloromethyl)-2-methyloxirane598-09-4 4-Chloro-2-butanone6322-49-2

Elsewhere

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