2,6-Difluorobenzaldehyde
Properties
- Molecular formula
- C7H4F2O
- Molar mass
- 142.10 g/mol
- Exact mass
- 142.0230 Da
- Melting point
- 15–17 °C
- Boiling point
- 190–195 °C
- logP
- 1.78Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation94.2% of notifiers
- H319 Causes serious eye irritation94.2% of notifiers
- H335 May cause respiratory irritation92.3% of notifiers
Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
437-81-0SMILES
O=Cc1c(F)cccc1FInChIKey
SOWRUJSGHKNOKN-UHFFFAOYSA-NInChI
InChI=1S/C7H4F2O/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
1 names
- Benzaldehyde, 2,6-difluoro-
Work with 2,6-Difluorobenzaldehyde
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-6-fluorobenzaldehyde360575-28-672 % similar
6-Fluorosalicylaldehyde38226-10-772 % similar
2-Chloro-6-fluorobenzaldehyde387-45-172 % similar
2-Fluoro-6-methylbenzaldehyde117752-04-269 % similar
2-Chloro-3,6-difluorobenzaldehyde261762-39-468 % similar
2-Fluoro-6-(trifluoromethyl)benzaldehyde60611-24-764 % similar
2-Fluoro-6-methoxybenzaldehyde146137-74-862 % similar
B-(3-Fluoro-2-formylphenyl)boronic acid871126-15-762 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.