2,6-Dichlorobenzaldehyde
Properties
- Molecular formula
- C7H4Cl2O
- Molar mass
- 175.01 g/mol
- Exact mass
- 173.9639 Da
- Melting point
- 71.5 °C
- Boiling point
- 71 °C
- Flash point
- 135 °C
- Water solubility
- < 1 g/L (22.8 °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 damage94.2% of notifiers
Aggregated from 52 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
83-38-5SMILES
O=Cc1c(Cl)cccc1ClInChIKey
DMIYKWPEFRFTPY-UHFFFAOYSA-NInChI
InChI=1S/C7H4Cl2O/c8-6-2-1-3-7(9)5(6)4-10/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Benzaldehyde, 2,6-dichloro-
- o,o′-Dichlorobenzaldehyde
- NSC 7193
Work with 2,6-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-Chloro-6-hydroxybenzaldehyde18362-30-671 % similar
2-Bromo-6-chlorobenzaldehyde64622-16-871 % similar
2-Chloro-6-methylbenzaldehyde1194-64-568 % similar
2-Chloro-6-fluorobenzaldehyde387-45-168 % similar
2,4,6-Trichlorobenzaldehyde24473-00-565 % similar
2,3,6-Trichlorobenzaldehyde4659-47-663 % similar
3,5-Dichloro-4-formyl pyridine136590-83-558 % similar
2-Chlorobenzaldehyde89-98-558 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.