4-Chlorobenzoyl chloride
Properties
- Molecular formula
- C7H4Cl2O
- Molar mass
- 175.01 g/mol
- Exact mass
- 173.9639 Da
- Melting point
- 16 °C
- Boiling point
- 222 °C
- logP
- 2.72Crippen 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 damage99.4% of notifiers
- H318 Causes serious eye damage60.5% of notifiers
- H335 May cause respiratory irritation33.8% of notifiers
Aggregated from 157 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, P501
Identifiers
CAS number
122-01-0SMILES
O=C(Cl)c1ccc(Cl)cc1InChIKey
RKIDDEGICSMIJA-UHFFFAOYSA-NInChI
InChI=1S/C7H4Cl2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Benzoyl chloride, 4-chloro-
- Benzoyl chloride, p-chloro-
- p-Chlorobenzoyl chloride
- 4-Chlorobenzoic acid chloride
- para-Chlorobenzoyl chloride
Work with 4-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
Terephthaloyl chloride100-20-975 % similar
4,4′-Biphenyldicarbonyl chloride2351-37-365 % similar
3,5-Dichlorobenzoyl chloride2905-62-660 % similar
4,4′-Dichlorobenzil3457-46-358 % similar
4,4′-Dichlorobenzophenone90-98-258 % similar
Benzoyl chloride98-88-458 % similar
4-Iodobenzoyl chloride1711-02-058 % similar
4-Fluorobenzoyl chloride403-43-058 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.