Octanoyl chloride

C₈H₁₅ClOCAS 111-64-8162.66 g/mol

Open in Covalent MOL file

Acyl halide

Properties

Molecular formula: C₈H₁₅ClO
Molar mass: 162.66 g/mol
Exact mass: 162.0811 Da
Density: 0.985 g/mL (at 20 °C)
Melting point: −63 °C
Boiling point: 195.6 °C
Flash point: 80.6 °C
Water solubility: < 1 g/L (21.1 °C)
logP: 3.11Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 6

Hazards

Danger

H290 May be corrosive to metals96.4% of notifiers
H315 Causes skin irritation94.6% of notifiers
H317 May cause an allergic skin reaction95.8% of notifiers
H318 Causes serious eye damage96.4% of notifiers
H330 Fatal if inhaled95.8% of notifiers

Aggregated from 167 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P354+P338, P316, P317, P320, P321, P332+P317, P333+P317, P362+P364, P390, P403+P233, P405, P406, P501

Identifiers

CAS number

111-64-8

SMILES

CCCCCCCC(=O)Cl

InChIKey

REEZZSHJLXOIHL-UHFFFAOYSA-N

InChI

InChI=1S/C8H15ClO/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

7 names

Capryloyl chloride
n-Octanoyl chloride
Caprylic acid chloride
Octanoic chloride
Octanoic acid chloride
1-Octanoic acid chloride
Octanoic acid, anhydride with carbonochloridic acid

Work with Octanoyl 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

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 Heptanoyl chloride2528-61-2100 % similar Nonanoyl chloride764-85-2100 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Vinyl chloride-isobutyl vinyl ether copolymer25154-85-2 2-Propylpentanoyl chloride2936-08-5 2-Ethylhexanoyl chloride760-67-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia