Heptanoyl chloride
Properties
- Molecular formula
- C7H13ClO
- Molar mass
- 148.63 g/mol
- Exact mass
- 148.0655 Da
- Density
- 0.9665 g/mL (at 15 °C)
- Melting point
- −83.8 °C
- Boiling point
- 145 °C
- logP
- 2.72Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 5
Hazards
Danger
- H290 May be corrosive to metals68.4% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H318 Causes serious eye damage69% of notifiers
- H330 Fatal if inhaled95.6% of notifiers
Aggregated from 158 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P234, P260, P264, P264+P265, P271, P280, P284, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P363, P390, P403+P233, P405, P406, P501
Identifiers
CAS number
2528-61-2SMILES
CCCCCCC(=O)ClInChIKey
UCVODTZQZHMTPN-UHFFFAOYSA-NInChI
InChI=1S/C7H13ClO/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Enanthoyl chloride
- n-Heptanoyl chloride
- Enanthyl chloride
- Heptanoic acid chloride
Work with Heptanoyl 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 chloride111-64-8100 % similar
Decanoyl chloride112-13-0100 % similar
Lauroyl chloride112-16-3100 % similar
Tetradecanoyl chloride112-64-1100 % similar
Palmitoyl chloride112-67-4100 % similar
Stearoyl chloride112-76-5100 % similar
Undecanoyl chloride17746-05-3100 % similar
Nonanoyl chloride764-85-2100 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.