3,3-Dimethylbutanoyl chloride
Properties
- Molecular formula
- C6H11ClO
- Molar mass
- 134.60 g/mol
- Exact mass
- 134.0498 Da
- Density
- 0.964 g/mL (at 20 °C)
- Boiling point
- 130 °C
- logP
- 2.19Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H314 Causes severe skin burns and eye damage18.4% of notifiers
- H315 Causes skin irritation81.6% of notifiers
- H318 Causes serious eye damage83.7% of notifiers
Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P332+P317, P362+P364, P363, P370+P378, P403+P235, P405, P501
Identifiers
CAS number
7065-46-5SMILES
CC(C)(C)CC(=O)ClInChIKey
BUTKIHRNYUEGKB-UHFFFAOYSA-NInChI
InChI=1S/C6H11ClO/c1-6(2,3)4-5(7)8/h4H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Butanoyl chloride, 3,3-dimethyl-
- Butyryl chloride, 3,3-dimethyl-
- tert-Butylacetyl chloride
- 3,3-Dimethylbutyryl chloride
- 3,3-Dimethylbutyric acid chloride
- 3,3-Dimethylbutanoic acid chloride
Work with 3,3-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
3,5,5-Trimethylhexanoyl chloride36727-29-450 % similar
Neodecanoyl chloride40292-82-850 % similar
4,4-Dimethyl-2-pentanone590-50-146 % similar
3,3-Dimethylbutanoic acid1070-83-344 % similar
Propionyl chloride79-03-843 % similar
Malonyl chloride1663-67-843 % similar
Succinyl chloride543-20-443 % similar
Butyryl chloride141-75-340 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.