Hexanoyl chloride
Properties
- Molecular formula
- C6H11ClO
- Molar mass
- 134.60 g/mol
- Exact mass
- 134.0498 Da
- Density
- 0.9802 g/mL (at 15 °C)
- Melting point
- −87 °C
- Boiling point
- 153 °C
- logP
- 2.33Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 4
Hazards
Danger
- H226 Flammable liquid and vapor94.6% of notifiers
- H290 May be corrosive to metals62.9% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H318 Causes serious eye damage65.9% of notifiers
Aggregated from 167 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, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P390, P403+P235, P405, P406, P501
Identifiers
CAS number
142-61-0SMILES
CCCCCC(=O)ClInChIKey
YWGHUJQYGPDNKT-UHFFFAOYSA-NInChI
InChI=1S/C6H11ClO/c1-2-3-4-5-6(7)8/h2-5H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Caproyl chloride
- n-Caproyl chloride
- Caproic chloride
- n-Hexanoyl chloride
- Caproic acid chloride
- Hexanoic acid chloride
- 1-Pentanecarbonyl chloride
Work with Hexanoyl 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
Octanoyl chloride111-64-895 % similar
Decanoyl chloride112-13-095 % similar
Lauroyl chloride112-16-395 % similar
Tetradecanoyl chloride112-64-195 % similar
Palmitoyl chloride112-67-495 % similar
Stearoyl chloride112-76-595 % similar
Undecanoyl chloride17746-05-395 % similar
Heptanoyl chloride2528-61-295 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.