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
Hazards
Danger
- H290 May be corrosive to metals69.9% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H318 Causes serious eye damage69.9% of notifiers
- H335 May cause respiratory irritation94.1% of notifiers
Aggregated from 153 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P234, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P390, P403+P233, P405, P406, P501
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
2,3-Dimethylbenzene-1-carbonyl chloride21900-46-969 % similar
Phthaloyl chloride88-95-967 % similar
2-Iodobenzoyl chloride609-67-659 % similar
2,4-Dimethylbenzoyl chloride21900-42-558 % similar
2′-Methylacetophenone577-16-255 % similar
2-Chlorobenzoyl chloride609-65-455 % similar
2-Bromobenzoyl chloride7154-66-755 % similar
5-Fluoro-2-methylbenzoyl chloride21900-39-055 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.