chempirical

2,4,6-Trimethylbenzoyl chloride

C10H11ClOCAS 938-18-1182.65 g/mol

Open in Covalent MOL file
OCl
Acyl halide

Properties

Molecular formula
C10H11ClO
Molar mass
182.65 g/mol
Exact mass
182.0498 Da
Boiling point
125–126 °C (at 30 Torr)
logP
2.99Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
938-18-1
SMILES
Cc1cc(C)c(C(=O)Cl)c(C)c1
InChIKey
UKRQMDIFLKHCRO-UHFFFAOYSA-N
InChI
InChI=1S/C10H11ClO/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3

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Names and synonyms

6 names
  • Benzoyl chloride, 2,4,6-trimethyl-
  • Mesitoyl chloride
  • Mesitylcarbonyl chloride
  • 2,4,6-Trimethylbenzoic acid chloride
  • NSC 97606
  • Sym-Trimethylbenzoic acid chloride

Work with 2,4,6-Trimethylbenzoyl 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

2,2′,4,4′,6,6′-Hexamethylbenzophenone5623-45-059 % similar 2,4-Dimethylbenzoyl chloride21900-42-558 % similar 3,5-Dimethylbenzoyl chloride6613-44-157 % similar 2′,4′,6′-Trimethylacetophenone1667-01-255 % similar 2′,4′,6′-Trimethylacetophenone51885-97-355 % similar 2,4,6-Trimethylbenzoic acid480-63-753 % similar Methyl 2,4,6-trimethylbenzoate2282-84-050 % similar 2,4,6-Trimethylbenzophenone954-16-547 % similar

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

Same formula

Benzenebutanoyl chloride18496-54-3 α-Ethylbenzeneacetyl chloride36854-57-6 1-(4-Chlorophenyl)-1-butanone4981-63-9 4-Propylbenzoyl chloride52710-27-7 4-(2-Chloroethyl)acetophenone69614-95-5 4-Chlorobutyrophenone939-52-6

Elsewhere

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