2,5-Bis(trifluoromethyl)benzaldehyde
Properties
- Molecular formula
- C9H4F6O
- Molar mass
- 242.12 g/mol
- Exact mass
- 242.0166 Da
- Boiling point
- 170–172 °C
- logP
- 3.54Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 46 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
395-64-2SMILES
O=Cc1cc(C(F)(F)F)ccc1C(F)(F)FInChIKey
PICGJIQKPLBIES-UHFFFAOYSA-NInChI
InChI=1S/C9H4F6O/c10-8(11,12)6-1-2-7(9(13,14)15)5(3-6)4-16/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- Benzaldehyde, 2,5-bis(trifluoromethyl)-
Work with 2,5-Bis(trifluoromethyl)benzaldehyde
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-Fluoro-5-(trifluoromethyl)benzaldehyde146137-78-266 % similar
5-Fluoro-2-(trifluoromethyl)benzaldehyde90381-08-166 % similar
2-Bromo-5-(trifluoromethyl)benzaldehyde102684-91-364 % similar
2-Chloro-5-(trifluoromethyl)benzaldehyde82386-89-864 % similar
5-Chloro-2-(trifluoromethyl)benzaldehyde90381-07-064 % similar
2-Hydroxy-4-(trifluoromethyl)benzaldehyde58914-34-461 % similar
2-Fluoro-4-(trifluoromethyl)benzaldehyde89763-93-961 % similar
2-Chloro-4-(trifluoromethyl)benzaldehyde82096-91-159 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.