2,4-Dichlorobenzaldehyde
Properties
- Molecular formula
- C7H4Cl2O
- Molar mass
- 175.01 g/mol
- Exact mass
- 173.9639 Da
- Density
- 1.33 g/mL (at 100 °C)
- Melting point
- 72 °C
- Boiling point
- 233 °C
- Flash point
- 135 °C
- Water solubility
- < 1 g/L (23.9 °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 damage96.2% of notifiers
- H318 Causes serious eye damage38% of notifiers
- H411 Toxic to aquatic life with long lasting effects48.1% of notifiers
Aggregated from 79 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P264+P265, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P391, P405, P501
Identifiers
CAS number
874-42-0SMILES
O=Cc1ccc(Cl)cc1ClInChIKey
YSFBEAASFUWWHU-UHFFFAOYSA-NInChI
InChI=1S/C7H4Cl2O/c8-6-2-1-5(4-10)7(9)3-6/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Benzaldehyde, 2,4-dichloro-
- o,p-Dichlorobenzaldehyde
- NSC 8762
- 2,4-Dichlorophenylcarboxaldehyde
Work with 2,4-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-Chloro-2-hydroxybenzaldehyde2420-26-062 % similar
4-Bromo-2-chlorobenzaldehyde158435-41-760 % similar
4-Chloro-2-methylbenzaldehyde40137-29-960 % similar
2-Chloro-4-hydroxybenzaldehyde56962-11-960 % similar
4-Chloro-2-fluorobenzaldehyde61072-56-860 % similar
5-Chlorosalicylaldehyde635-93-860 % similar
2-Chloro-4-fluorobenzaldehyde84194-36-560 % similar
2-Bromo-4-chlorobenzaldehyde84459-33-660 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.