2,4-Bis(trifluoromethyl)benzaldehyde

C9H4F6OCAS 59664-42-5242.12 g/mol

Open in Covalent MOL file
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AldehydeAlkyl halide

Properties

Molecular formula
C9H4F6O
Molar mass
242.12 g/mol
Exact mass
242.0166 Da
logP
3.54Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

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
59664-42-5
SMILES
C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)C=O
InChIKey
DLRCWXOCZIUZBS-UHFFFAOYSA-N
InChI
InChI=1S/C9H4F6O/c10-8(11,12)6-2-1-5(4-16)7(3-6)9(13,14)15/h1-4H

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2,4-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Hydroxy-4-(trifluoromethyl)benzaldehyde58914-34-466 % similar 4-Bromo-2-(trifluoromethyl)benzaldehyde861928-27-066 % similar 2-Fluoro-4-(trifluoromethyl)benzaldehyde89763-93-966 % similar 4-Fluoro-2-(trifluoromethyl)benzaldehyde90176-80-066 % similar 4-Chloro-2-(trifluoromethyl)benzaldehyde320-43-464 % similar 2-Chloro-4-(trifluoromethyl)benzaldehyde82096-91-164 % similar 2-Bromo-4-(trifluoromethyl)benzaldehyde85118-24-764 % similar 2-Fluoro-5-(trifluoromethyl)benzaldehyde146137-78-261 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Bis(trifluoromethyl)benzaldehyde395-64-2 3,5-Bis(trifluoromethyl)benzaldehyde401-95-6

Elsewhere

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