4-Fluoro-2-(trifluoromethyl)benzaldehyde

C₈H₄F₄OCAS 90176-80-0192.11 g/mol

Open in Covalent MOL file

Aldehyde Alkyl halide Aryl halide

Properties

Molecular formula: C₈H₄F₄O
Molar mass: 192.11 g/mol
Exact mass: 192.0198 Da
logP: 2.66Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H226 Flammable liquid and vapor95.8% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

90176-80-0

SMILES

C1=CC(=C(C=C1F)C(F)(F)F)C=O

InChIKey

NONOHEMDNFTKCZ-UHFFFAOYSA-N

InChI

InChI=1S/C8H4F4O/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-4H

Weigh it out

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

Work with 4-Fluoro-2-(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

5-Fluoro-2-(trifluoromethyl)benzaldehyde90381-08-174 % similar 4-Bromo-2-(trifluoromethyl)benzaldehyde861928-27-069 % similar 2,4-Bis(trifluoromethyl)benzaldehyde59664-42-566 % similar 4-Chloro-2-(trifluoromethyl)benzaldehyde320-43-462 % similar 4-Methoxy-2-(trifluoromethyl)benzaldehyde106312-36-157 % similar 2,4-Difluorobenzaldehyde1550-35-256 % similar 2-(Trifluoromethyl)benzaldehyde447-61-056 % similar 4-Fluoro-2-(trifluoromethyl)phenol130047-19-755 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Fluoro-3-(trifluoromethyl)benzaldehyde112641-20-0 2-Fluoro-5-(trifluoromethyl)benzaldehyde146137-78-2 3-Fluoro-5-(trifluoromethyl)benzaldehyde188815-30-7 3-Fluoro-4-(trifluoromethyl)benzaldehyde204339-72-0 3-(Trifluoromethyl)benzoyl fluoride328-99-4 4-(Trifluoromethyl)benzoyl fluoride368-94-5 2-Fluoro-6-(trifluoromethyl)benzaldehyde60611-24-7 2,2,2-Trifluoro-1-(4-fluorophenyl)ethanone655-32-3

Elsewhere

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