4-Heptylbenzoyl chloride

C14H19ClOCAS 50606-96-7238.75 g/mol

Open in Covalent MOL file
OCl
Acyl halide

Properties

Molecular formula
C14H19ClO
Molar mass
238.75 g/mol
Exact mass
238.1124 Da
Boiling point
160 °C (at 5 Torr)
logP
4.58Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
7

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, P501

Identifiers

CAS number
50606-96-7
SMILES
CCCCCCCc1ccc(C(=O)Cl)cc1
InChIKey
WHTFLTOKFXTJGV-UHFFFAOYSA-N
InChI
InChI=1S/C14H19ClO/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h8-11H,2-7H2,1H3

Weigh it out

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

Names and synonyms

2 names
  • Benzoyl chloride, 4-heptyl-
  • p-Heptylbenzoyl chloride

Work with 4-Heptylbenzoyl 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 chloride50606-95-6100 % similar 4-Pentylbenzoyl chloride49763-65-797 % similar 4-Butylbenzoyl chloride28788-62-787 % similar 4-Propylbenzoyl chloride52710-27-774 % similar 4-(Hexyloxy)benzoyl chloride39649-71-363 % similar 4-Octyloxybenzoyl chloride40782-53-463 % similar P-Octylacetophenone10541-56-763 % similar 1-(4-Hexylphenyl)ethanone37592-72-663 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4'-tert-Butyl-4-chlorobutyrophenone43076-61-5 2-tert-Butyl-2-(2-(4-chlorophenyl)ethyl)oxirane80443-63-6

Elsewhere

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