4-Pentylbenzoyl chloride

C₁₂H₁₅ClOCAS 49763-65-7210.70 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₅ClO
Molar mass: 210.70 g/mol
Exact mass: 210.0811 Da
Boiling point: 136 °C (at 3.2 Torr)
logP: 3.80Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 5

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage88.6% of notifiers

Aggregated from 44 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

49763-65-7

SMILES

CCCCCc1ccc(C(=O)Cl)cc1

InChIKey

FBBRKYLXMNQFQU-UHFFFAOYSA-N

InChI

InChI=1S/C12H15ClO/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h6-9H,2-5H2,1H3

Weigh it out

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

Names and synonyms

4 names

Benzoyl chloride, 4-pentyl-
p-Pentylbenzoyl chloride
p-(n-Amyl)benzoyl chloride
4-n-Pentylbenzoyl chloride

Reactions

Preparation of 4-alkyl-and 4-halobenzoyl chlorides: 4-pentylbenzoyl chloride (Benzoyl chloride, 4-pentyl-)product

Work with 4-Pentylbenzoyl 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-Hexylbenzoyl chloride50606-95-697 % similar 4-Heptylbenzoyl chloride50606-96-797 % similar 4-Butylbenzoyl chloride28788-62-790 % similar 4-Propylbenzoyl chloride52710-27-777 % similar 4-Ethylbenzoyl chloride16331-45-663 % similar 1-(4-Pentylphenyl)ethanone37593-02-562 % similar 4-(Hexyloxy)benzoyl chloride39649-71-361 % similar 4-Pentylbenzoic acid26311-45-560 % similar

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

Same formula

2-Chloro-1-[4-(1,1-dimethylethyl)phenyl]ethanone21886-62-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook