3,4-Dichlorobenzaldehyde
Properties
- Molecular formula
- C7H4Cl2O
- Molar mass
- 175.01 g/mol
- Exact mass
- 173.9639 Da
- Melting point
- 44 °C
- Boiling point
- 247.5 °C
- Flash point
- 112.8 °C
- Water solubility
- < 1 g/L (22.5 °C)
- logP
- 2.81Crippen 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 damage94.3% of notifiers
- H318 Causes serious eye damage75.5% of notifiers
Aggregated from 53 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501
Identifiers
CAS number
6287-38-3SMILES
O=Cc1ccc(Cl)c(Cl)c1InChIKey
ZWUSBSHBFFPRNE-UHFFFAOYSA-NInChI
InChI=1S/C7H4Cl2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Benzaldehyde, 3,4-dichloro-
- 3,4-Dichlorobenzenecarboxaldehyde
- m,p-Dichlorobenzaldehyde
- NSC 8763
- 3,4-Dichlorobenzaldehlyde
Work with 3,4-Dichlorobenzaldehyde
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
4-(3,4-Dichlorophenyl)benzaldehyde50670-78-570 % similar
4-Bromo-3-chlorobenzaldehyde120077-69-264 % similar
3-Chloro-4-hydroxybenzaldehyde2420-16-864 % similar
3-Chloro-4-methylbenzaldehyde3411-03-864 % similar
3-Chloro-4-fluorobenzaldehyde34328-61-564 % similar
4-Chloro-3-fluorobenzaldehyde5527-95-764 % similar
3-Bromo-4-chloro-benzaldehyde86265-88-564 % similar
4-Chloro-3-methoxybenzaldehyde13726-16-458 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.