3-Chlorobenzoyl chloride
Properties
- Molecular formula
- C7H4Cl2O
- Molar mass
- 175.01 g/mol
- Exact mass
- 173.9639 Da
- Melting point
- 48–49 °C
- Boiling point
- 225 °C
- logP
- 2.72Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H302 Harmful if swallowed43% of notifiers
- H314 Causes severe skin burns and eye damage57% of notifiers
- H335 May cause respiratory irritation48.8% of notifiers
Aggregated from 86 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, P501
Identifiers
CAS number
618-46-2SMILES
O=C(Cl)c1cccc(Cl)c1InChIKey
WHIHIKVIWVIIER-UHFFFAOYSA-NInChI
InChI=1S/C7H4Cl2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Benzoyl chloride, 3-chloro-
- Benzoyl chloride, m-chloro-
- m-Chlorobenzoyl chloride
- NSC 41886
Work with 3-Chlorobenzoyl 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 chloride99-63-875 % similar
3,5-Dichlorobenzoyl chloride2905-62-665 % similar
3-Fluorobenzoyl chloride1711-07-562 % similar
3-Bromobenzoyl chloride1711-09-762 % similar
3-Methylbenzoyl chloride1711-06-460 % similar
3-Iodobenzoyl chloride1711-10-060 % similar
Benzoyl chloride98-88-458 % similar
3-Chlorobenzophenone1016-78-057 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.