2-Methylbenzoyl chloride
Properties
- Molecular formula
- C8H7ClO
- Molar mass
- 154.59 g/mol
- Exact mass
- 154.0185 Da
- Melting point
- 159.5–160.9 °C
- Boiling point
- 213.5 °C
- logP
- 2.37Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Identifiers
CAS number
933-88-0SMILES
Cc1ccccc1C(=O)ClInChIKey
GPZXFICWCMCQPF-UHFFFAOYSA-NInChI
InChI=1S/C8H7ClO/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Benzoyl chloride, 2-methyl-
- o-Toluoyl chloride
- o-Methylbenzoyl chloride
- 2-Toluoyl chloride
- o-Toluic acid chloride
- 2-Methylbenzoic acid chloride
Work with 2-Methylbenzoyl 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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Phthaloyl chloride88-95-967 % similar
2-Iodobenzoyl chloride609-67-659 % similar
2,4-Dimethylbenzoyl chloride21900-42-558 % similar
2′-Methylacetophenone577-16-255 % similar
2-Bromobenzoyl chloride7154-66-755 % similar
2-Fluorobenzoyl chloride393-52-253 % similar
2-Methoxybenzoyl chloride21615-34-953 % similar
2-Methylbenzophenone131-58-852 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds