4-Methoxy-2-(trifluoromethyl)benzaldehyde

C₉H₇F₃O₂CAS 106312-36-1204.15 g/mol

Open in Covalent MOL file

Aldehyde Alkyl halide Ether

Properties

Molecular formula: C₉H₇F₃O₂
Molar mass: 204.15 g/mol
Exact mass: 204.0398 Da
logP: 2.53Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation87.5% of notifiers

Aggregated from 8 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

106312-36-1

SMILES

COC1=CC(=C(C=C1)C=O)C(F)(F)F

InChIKey

BVPVUMRIGHMFNV-UHFFFAOYSA-N

InChI

InChI=1S/C9H7F3O2/c1-14-7-3-2-6(5-13)8(4-7)9(10,11)12/h2-5H,1H3

Weigh it out

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

Work with 4-Methoxy-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

2-Trifluoromethoxy-4-methoxybenzaldehyde886503-52-260 % similar 2-Fluoro-4-methoxybenzaldehyde331-64-659 % similar 2,4-Bis(trifluoromethyl)benzaldehyde59664-42-558 % similar 2,4-Dimethoxybenzaldehyde613-45-658 % similar 4-Fluoro-3-(trifluoromethyl)anisole127271-65-257 % similar 4-Methoxy-2-methylbenzaldehyde52289-54-057 % similar 4-Methoxy-2-(trifluoromethyl)aniline53903-49-457 % similar 2-Hydroxy-4-methoxybenzaldehyde673-22-357 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methyl-2-(trifluoromethyl)benzoic acid120985-64-0 2-Methyl-5-(trifluoromethyl)benzoic acid13055-63-5 2-Methoxy-4-(trifluoromethyl)benzaldehyde132927-09-4 2-Methoxy-5-(trifluoromethyl)benzaldehyde146539-83-5 4'-Hydroxy-3'-(trifluoromethyl)acetophenone149105-11-3 3'-(Trifluoromethoxy)acetophenone170141-63-6 2'-(Trifluoromethoxy)acetophenone220227-93-0 Methyl 3-(trifluoromethyl)benzoate2557-13-3

Elsewhere

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