4-Methylbenzoyl chloride
Properties
- Molecular formula
- C8H7ClO
- Molar mass
- 154.59 g/mol
- Exact mass
- 154.0185 Da
- Density
- 1.175 g/mL (at 20 °C)
- Melting point
- −3 °C
- Boiling point
- 226 °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 metals51.2% of notifiers
- H314 Causes severe skin burns and eye damage99% of notifiers
- H318 Causes serious eye damage53.7% of notifiers
Aggregated from 205 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, P501
Identifiers
CAS number
874-60-2SMILES
Cc1ccc(C(=O)Cl)cc1InChIKey
NQUVCRCCRXRJCK-UHFFFAOYSA-NInChI
InChI=1S/C8H7ClO/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- Benzoyl chloride, 4-methyl-
- p-Toluoyl chloride
- p-Methylbenzoyl chloride
- p-Toluyl chloride
- 4-Toluoyl chloride
- p-Toluic acid chloride
- 4-Methylbenzoic acid chloride
- 4-Methylbenzenecarbonyl chloride
- p-Toluenecarbonyl chloride
Work with 4-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
Terephthaloyl chloride100-20-971 % similar
4,4′-Biphenyldicarbonyl chloride2351-37-363 % similar
3,5-Dimethylbenzoyl chloride6613-44-162 % similar
4-Chlorobenzoyl chloride122-01-058 % similar
4-(Dimethylamino)benzoyl chloride4755-50-457 % similar
1,2-Bis(4-methylphenyl)-1,2-ethanedione3457-48-556 % similar
4,4'-Dimethylbenzophenone611-97-256 % similar
Benzoyl chloride98-88-456 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.