Butyryl chloride
Properties
- Molecular formula
- C4H7ClO
- Molar mass
- 106.55 g/mol
- Exact mass
- 106.0185 Da
- Density
- 1.0263 g/mL (at 20.6 °C)
- Melting point
- −89 °C
- Boiling point
- 101–102 °C
- Flash point
- 18 °C (closed cup)
- logP
- 1.55Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 2
Hazards
Danger
- H225 Highly Flammable liquid and vaporFlammable liquids
- H314 Causes severe skin burns and eye damageSkin corrosion/irritation
Harmonised EU classification (CLP Annex VI), via PubChem.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, P501
Identifiers
CAS number
141-75-3SMILES
CCCC(=O)ClInChIKey
DVECBJCOGJRVPX-UHFFFAOYSA-NInChI
InChI=1S/C4H7ClO/c1-2-3-4(5)6/h2-3H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- Butanoyl chloride
- Butyroyl chloride
- n-Butyryl chloride
- Butyric chloride
- Butyric acid chloride
- n-Butanoyl chloride
- n-Butyroyl chloride
- Butanoic acid chloride
Reactions
Work with Butyryl 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
Pentanoyl chloride638-29-971 % similar
Hexanoyl chloride142-61-068 % similar
Octanoyl chloride111-64-865 % similar
Decanoyl chloride112-13-065 % similar
Lauroyl chloride112-16-365 % similar
Tetradecanoyl chloride112-64-165 % similar
Palmitoyl chloride112-67-465 % similar
Stearoyl chloride112-76-565 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds