2,2-Dimethylbutanoyl chloride

C₆H₁₁ClOCAS 5856-77-9134.60 g/mol

Open in Covalent MOL file

Acyl halide

Properties

Molecular formula: C₆H₁₁ClO
Molar mass: 134.60 g/mol
Exact mass: 134.0498 Da
Density: 0.9787 g/mL (at 20 °C)
Boiling point: 132 °C
logP: 2.19Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H226 Flammable liquid and vapor99.1% of notifiers
H290 May be corrosive to metals92.9% of notifiers
H314 Causes severe skin burns and eye damage99.1% of notifiers
H318 Causes serious eye damage93.8% of notifiers

Aggregated from 113 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P234, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P390, P403+P235, P405, P406, P501

Identifiers

CAS number

5856-77-9

SMILES

CCC(C)(C)C(=O)Cl

InChIKey

LDJUYMIFFNTKOI-UHFFFAOYSA-N

InChI

InChI=1S/C6H11ClO/c1-4-6(2,3)5(7)8/h4H2,1-3H3

Weigh it out

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

Names and synonyms

5 names

Butanoyl chloride, 2,2-dimethyl-
Butyryl chloride, 2,2-dimethyl-
2,2-Dimethylbutyryl chloride
2,2-Dimethylbutyric acid chloride
2,2-Dimethylbutanoic acid chloride

Work with 2,2-Dimethylbutanoyl 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-Chloro-2,2-dimethylpropanoyl chloride4300-97-460 % similar 2,2-Dimethylbutanoic acid595-37-948 % similar Pivaloyl chloride3282-30-246 % similar 2,2-Dimethyl-1-phenylbutan-1-one829-10-739 % similar Trichloroacetyl chloride76-02-836 % similar Trifluoroacetyl chloride354-32-535 % similar 2,2,3,3-Tetrafluorobutanedioyl dichloride356-15-035 % similar 3,7-Diethyl-3,7-dimethyl-4,6-nonanedione865193-73-334 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Chlorohexan-2-one10226-30-9 1-Chloropinacolone13547-70-1 Hexanoyl chloride142-61-0 2-Chlorocyclohexanol1561-86-0 2-(Chloromethyl)tetrahydropyran18420-41-2 2-Ethylbutyryl chloride2736-40-5 4-Methylpentanoyl chloride38136-29-7 2-Methylpentanoyl chloride5238-27-7

Elsewhere

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