3-Methylbenzoyl chloride
Properties
- Molecular formula
- C8H7ClO
- Molar mass
- 154.59 g/mol
- Exact mass
- 154.0185 Da
- Density
- 1.172 g/mL (at 20 °C)
- Melting point
- −23 °C
- Boiling point
- 219.5 °C
- logP
- 2.37Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H314 Causes severe skin burns and eye damage100% of notifiers
- H335 May cause respiratory irritation79.2% of notifiers
Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, P501
Identifiers
CAS number
1711-06-4SMILES
Cc1cccc(C(=O)Cl)c1InChIKey
YHOYYHYBFSYOSQ-UHFFFAOYSA-NInChI
InChI=1S/C8H7ClO/c1-6-3-2-4-7(5-6)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, 3-methyl-
- m-Toluoyl chloride
- m-Methylbenzoyl chloride
- m-Toluyl chloride
- Toluoyl chloride
- 3-Toluoyl chloride
- NSC 97207
- m-Toluenecarbonyl chloride
- m-Toluic acid chloride
Work with 3-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
Isophthaloyl chloride99-63-869 % similar
3,5-Dimethylbenzoyl chloride6613-44-164 % similar
3-Chlorobenzoyl chloride618-46-260 % similar
Benzoyl chloride98-88-459 % similar
4-Methylbenzoyl chloride874-60-259 % similar
3-Fluorobenzoyl chloride1711-07-558 % similar
3-Bromobenzoyl chloride1711-09-758 % similar
3′-Methylacetophenone585-74-058 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.