2,5-Dichlorobenzaldehyde
Properties
- Molecular formula
- C7H4Cl2O
- Molar mass
- 175.01 g/mol
- Exact mass
- 173.9639 Da
- Melting point
- 58 °C
- Boiling point
- 232 °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 damage15.2% of notifiers
- H315 Causes skin irritation84.8% of notifiers
- H319 Causes serious eye irritation84.8% of notifiers
- H335 May cause respiratory irritation84.8% of notifiers
Aggregated from 46 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+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501
Identifiers
CAS number
6361-23-5SMILES
O=Cc1cc(Cl)ccc1ClInChIKey
BUXHYMZMVMNDMG-UHFFFAOYSA-NInChI
InChI=1S/C7H4Cl2O/c8-6-1-2-7(9)5(3-6)4-10/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- Benzaldehyde, 2,5-dichloro-
Work with 2,5-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
2-Bromo-5-chlorobenzaldehyde174265-12-460 % similar
5-Bromo-2-chlorobenzaldehyde189628-37-360 % similar
2-Amino-5-chlorobenzaldehyde20028-53-960 % similar
5-Chlorosalicylaldehyde635-93-860 % similar
2-Chloro-5-fluorobenzaldehyde84194-30-960 % similar
5-Chloro-2-fluorobenzaldehyde96515-79-660 % similar
2-Chlorobenzaldehyde89-98-559 % similar
4-Chloro-2-hydroxybenzaldehyde2420-26-057 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.