3-Chloro-2,2-dimethylpropanoyl chloride

C₅H₈Cl₂OCAS 4300-97-4155.02 g/mol

Open in Covalent MOL file

Acyl halide Alkyl halide

Properties

Molecular formula: C₅H₈Cl₂O
Molar mass: 155.02 g/mol
Exact mass: 153.9952 Da
Boiling point: 110–112 °C
Flash point: 21.1 °C
logP: 2.02Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage97.8% of notifiers
H318 Causes serious eye damage10.9% of notifiers
H330 Fatal if inhaled95.7% of notifiers
H335 May cause respiratory irritation89.1% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P284, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P363, P403+P233, P405, P501

Identifiers

CAS number

4300-97-4

SMILES

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

InChIKey

MQZNDDUMJVSIMH-UHFFFAOYSA-N

InChI

InChI=1S/C5H8Cl2O/c1-5(2,3-6)4(7)8/h3H2,1-2H3

Weigh it out

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

Names and synonyms

10 names

Propanoyl chloride, 3-chloro-2,2-dimethyl-
Propionyl chloride, 3-chloro-2,2-dimethyl-
β-Chloro-α,α-dimethylpropionyl chloride
3-Chloro-2,2-dimethylpropionyl chloride
β-Chloropivaloyl chloride
β-Chloropivalic acid chloride
3-Chloropivaloyl chloride
Chloropivaloyl chloride
2,2-Dimethyl-3-chloropropionyl chloride
3-Chloro-2,2-dimethylpropionoyl chloride

Work with 3-Chloro-2,2-dimethylpropanoyl 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

2,2-Dimethylbutanoyl chloride5856-77-960 % similar Beta-Chloropivalic acid13511-38-152 % similar Pivaloyl chloride3282-30-246 % similar 1-Adamantanecarbonyl chloride2094-72-638 % similar Trichloroacetyl chloride76-02-836 % similar Trifluoroacetyl chloride354-32-535 % similar 2,2,3,3-Tetrafluorobutanedioyl dichloride356-15-035 % similar 2-(Acetyloxy)-2-methylpropanoyl chloride40635-66-334 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Chlorovaleryl chloride1575-61-7 1,5-Dichloro-3-pentanone3592-25-4 3,3-Bis(chloromethyl)oxetane78-71-7

Elsewhere

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