4-(Hexyloxy)benzoyl chloride

C₁₃H₁₇ClO₂CAS 39649-71-3240.73 g/mol

Open in Covalent MOL file

Acyl halide Ether

Properties

Molecular formula: C₁₃H₁₇ClO₂
Molar mass: 240.73 g/mol
Exact mass: 240.0917 Da
logP: 4.02Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 7

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage90.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

39649-71-3

SMILES

CCCCCCOc1ccc(C(=O)Cl)cc1

InChIKey

DQQOONVCLQZWOY-UHFFFAOYSA-N

InChI

InChI=1S/C13H17ClO2/c1-2-3-4-5-10-16-12-8-6-11(7-9-12)13(14)15/h6-9H,2-5,10H2,1H3

Weigh it out

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

Names and synonyms

5 names

Benzoyl chloride, 4-(hexyloxy)-
Benzoyl chloride, p-(hexyloxy)-
p-n-Hexyloxybenzoyl chloride
p-(Hexyloxy)benzoyl chloride
4-Hexyloxybenzoic acid chloride

Work with 4-(Hexyloxy)benzoyl 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

4-Octyloxybenzoyl chloride40782-53-4100 % similar 4-Butoxybenzoyl chloride33863-86-488 % similar 4-Ethoxybenzoyl chloride16331-46-767 % similar 4-(Hexyloxy)benzoic acid1142-39-865 % similar 4-(Heptyloxy)benzoic acid15872-42-165 % similar 4-(Nonyloxy)benzoic acid15872-43-265 % similar 4-Undecyloxybenzoic acid15872-44-365 % similar 4-(Dodecyloxy)benzoic acid2312-15-465 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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