3,4-Dichlorobenzoyl chloride
Properties
- Molecular formula
- C7H3Cl3O
- Molar mass
- 209.45 g/mol
- Exact mass
- 207.9249 Da
- Melting point
- 25 °C
- Boiling point
- 242 °C
- logP
- 3.37Crippen 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
Aggregated from 94 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501
Identifiers
CAS number
3024-72-4SMILES
O=C(Cl)c1ccc(Cl)c(Cl)c1InChIKey
VTXNOVCTHUBABW-UHFFFAOYSA-NInChI
InChI=1S/C7H3Cl3O/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- Benzoyl chloride, 3,4-dichloro-
Work with 3,4-Dichlorobenzoyl 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
3-Chloro-4-fluorobenzoyl chloride65055-17-667 % similar
Isophthaloyl chloride99-63-862 % similar
4-Chloro-3-nitrobenzoyl chloride38818-50-759 % similar
3,4-Dichlorobenzamide2670-38-459 % similar
Terephthaloyl chloride100-20-958 % similar
3-(Aminosulfonyl)-4-chlorobenzoyl chloride70049-77-357 % similar
3′,4′-Dichloroacetophenone2642-63-957 % similar
3,4-Dichlorobenzoic acid51-44-557 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.
Same formula
2,4,6-Trichlorobenzaldehyde24473-00-5
2,3-Dichlorobenzoyl chloride2905-60-4
2,5-Dichlorobenzoyl chloride2905-61-5
3,5-Dichlorobenzoyl chloride2905-62-6
2,6-Dichlorobenzoyl chloride4659-45-4
2,3,6-Trichlorobenzaldehyde4659-47-6
2,3,5-Trichlorobenzaldehyde56961-75-2
2,4-Dichlorobenzoyl chloride89-75-8