1-Chloropinacolone

C₆H₁₁ClOCAS 13547-70-1134.60 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₆H₁₁ClO
Molar mass: 134.60 g/mol
Exact mass: 134.0498 Da
Melting point: 120 °C
Boiling point: 60.5 °C
logP: 1.84Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

13547-70-1

SMILES

CC(C)(C)C(=O)CCl

InChIKey

ULSAJQMHTGKPIY-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

7 names

2-Butanone, 1-chloro-3,3-dimethyl-
1-Chloro-3,3-dimethyl-2-butanone
α-Chloropinacolone
Chloromethyl tert-butyl ketone
tert-Butyl chloromethyl ketone
α-Chloropinacolin
3,3-Dimethyl-2-oxobutyl chloride

Work with 1-Chloropinacolone

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

2,2,6,6-Tetramethyl-3,5-heptanedione1118-71-455 % similar 1,1,1,3-Tetrachloroacetone16995-35-055 % similar 2-Chloro-1-(1-chlorocyclopropyl)ethanone120983-72-450 % similar Bromopinacolone5469-26-148 % similar 2,2-Dimethyl-3-hexanone5405-79-846 % similar 1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione22767-90-442 % similar Pivaloylacetonitrile59997-51-242 % similar tert-Butyl chloroacetate107-59-541 % similar

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

Same formula

6-Chloro-2-hexanone10226-30-9 Hexanoyl chloride142-61-0 2-Chlorocyclohexanol1561-86-0 2-Ethylbutyryl chloride2736-40-5 4-Methylpentanoyl chloride38136-29-7 2-Methylpentanoyl chloride5238-27-7 2,2-Dimethylbutanoyl chloride5856-77-9 3,3-Dimethylbutanoyl chloride7065-46-5

Elsewhere

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