4-Butylbenzoyl chloride

C11H13ClOCAS 28788-62-7196.67 g/mol

Open in Covalent MOL file
OCl
Acyl halide

Properties

Molecular formula
C11H13ClO
Molar mass
196.67 g/mol
Exact mass
196.0655 Da
Boiling point
155–156 °C (at 26 Torr)
logP
3.41Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

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
28788-62-7
SMILES
CCCCc1ccc(C(=O)Cl)cc1
InChIKey
OUOWCSJYDCPVDM-UHFFFAOYSA-N
InChI
InChI=1S/C11H13ClO/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8H,2-4H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • Benzoyl chloride, 4-butyl-
  • Benzoyl chloride, p-butyl-
  • p-Butylbenzoyl chloride
  • 4-n-Butylbenzoyl chloride
  • p-n-Butylbenzoyl chloride

Work with 4-Butylbenzoyl 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-Pentylbenzoyl chloride49763-65-790 % similar 4-Hexylbenzoyl chloride50606-95-687 % similar 4-Heptylbenzoyl chloride50606-96-787 % similar 4-Propylbenzoyl chloride52710-27-779 % similar 4-Ethylbenzoyl chloride16331-45-665 % similar 4-Butoxybenzoyl chloride33863-86-461 % similar 4-N-Butylbenzamide107377-07-161 % similar 1-(4-Butylphenyl)ethanone37920-25-561 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-tert-Butylbenzoyl chloride1710-98-1 1-(4-Chlorophenyl)-1-pentanone25017-08-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook