Pivaloyl chloride
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
- logP
- 1.80Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Identifiers
CAS number
3282-30-2SMILES
CC(C)(C)C(=O)ClInChIKey
JVSFQJZRHXAUGT-UHFFFAOYSA-NInChI
InChI=1S/C5H9ClO/c1-5(2,3)4(6)7/h1-3H3Weigh 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