Neodecanoyl chloride

C₁₀H₁₉ClOCAS 40292-82-8190.71 g/mol

Open in Covalent MOL file

Acyl halide

Properties

Molecular formula: C₁₀H₁₉ClO
Molar mass: 190.71 g/mol
Exact mass: 190.1124 Da
logP: 3.75Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 5

Hazards

Danger

H302 Harmful if swallowedAcute toxicity, oral
H314 Causes severe skin burns and eye damageSkin corrosion/irritation
H330 Fatal if inhaledAcute toxicity, inhalation

Harmonised EU classification (CLP Annex VI, index 607-313-00-7), via PubChem.

Precautionary statements

P260, P264, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P320, P321, P330, P363, P403+P233, P405, P501

Identifiers

CAS number

40292-82-8

SMILES

CC(C)(C)CCCCCC(=O)Cl

InChIKey

WOFMVUZGDHWHLJ-UHFFFAOYSA-N

InChI

InChI=1S/C10H19ClO/c1-10(2,3)8-6-4-5-7-9(11)12/h4-8H2,1-3H3

Weigh it out

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

Names and synonyms

1 names

Neodecanoic chloride

Work with Neodecanoyl 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Suberoyl chloride10027-07-363 % similar Sebacoyl chloride111-19-363 % similar Azelaoyl chloride123-98-863 % similar Adipoyl chloride111-50-258 % similar Octanoyl chloride111-64-855 % similar Lauroyl chloride112-16-355 % similar Tetradecanoyl chloride112-64-155 % similar Palmitoyl chloride112-67-455 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Decanoyl chloride112-13-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook