Pivaloyl chloride

C₅H₉ClOCAS 3282-30-2120.58 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₉ClO
Molar mass: 120.58 g/mol
Exact mass: 120.0342 Da
Density: 1.003 g/mL (at 20 °C)
Melting point: 87–88 °C
Boiling point: 107 °C
Flash point: 8.9 °C
logP: 1.80Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vapor81.8% of notifiers
H290 May be corrosive to metals58.6% of notifiers
H302 Harmful if swallowed81.8% of notifiers
H314 Causes severe skin burns and eye damage82.2% of notifiers
H318 Causes serious eye damage59.9% of notifiers
H330 Fatal if inhaled75.7% of notifiers

Aggregated from 292 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, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P363, P370+P378, P390, P403+P233, P403+P235, P405, P406, P501

Identifiers

CAS number

3282-30-2

SMILES

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

InChIKey

JVSFQJZRHXAUGT-UHFFFAOYSA-N

InChI

InChI=1S/C5H9ClO/c1-5(2,3)4(6)7/h1-3H3

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, 2,2-dimethyl-
2,2-Dimethylpropanoyl chloride
Trimethylacetyl chloride
Neopentanoyl chloride
2,2-Dimethylpropionyl chloride
Pivalic acid chloride
Pivalyl chloride
Pivalolyl chloride
2,2-Dimethylpropionic acid chloride
tert-Butylcarbonyl chloride
1,1-Dimethylethanecarbonyl chloride
tert-Butyl chloro ketone
2,2,2-Trimethylacetyl chloride
Propanoic acid, 2,2-dimethyl-, anhydride with carbonochloridic acid

Work with Pivaloyl 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 chloride4300-97-446 % similar 2,2-Dimethylbutanoyl chloride5856-77-946 % similar Trichloroacetyl chloride76-02-845 % similar Trifluoroacetyl chloride354-32-543 % similar 2,2,3,3-Tetrafluorobutanedioyl dichloride356-15-043 % similar Di-tert-butyl ketone815-24-742 % similar 2-Chloro-2,2-difluoroacetyl chloride354-24-541 % similar 2-(Acetyloxy)-2-methylpropanoyl chloride40635-66-341 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Isovaleryl chloride108-12-3 4-Chlorotetrahydro-2H-pyran1768-64-5 2-Chloromethyl tetrahydrofuran3003-84-7 5-Chloro-2-pentanone5891-21-4 Pentanoyl chloride638-29-9

Elsewhere

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