2-Methoxy-5-(trifluoromethoxy)benzaldehyde

C₉H₇F₃O₃CAS 145742-65-0220.15 g/mol

Open in Covalent MOL file

Aldehyde Alkyl halide Ether

Properties

Molecular formula: C₉H₇F₃O₃
Molar mass: 220.15 g/mol
Exact mass: 220.0347 Da
logP: 2.41Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation37.5% 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

145742-65-0

SMILES

COc1ccc(OC(F)(F)F)cc1C=O

InChIKey

ATRDCTRZAJKDPL-UHFFFAOYSA-N

InChI

InChI=1S/C9H7F3O3/c1-14-8-3-2-7(4-6(8)5-13)15-9(10,11)12/h2-5H,1H3

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

Names and synonyms

1 names

Benzaldehyde, 2-methoxy-5-(trifluoromethoxy)-

Work with 2-Methoxy-5-(trifluoromethoxy)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

2,5-Dimethoxybenzaldehyde93-02-768 % similar 2-Trifluoromethoxy-4-methoxybenzaldehyde886503-52-267 % similar 2-Fluoro-5-(trifluoromethoxy)benzaldehyde886497-81-063 % similar 2-Methoxy-5-(trifluoromethyl)benzaldehyde146539-83-562 % similar 2-Hydroxy-5-(trifluoromethoxy)benzaldehyde93249-62-862 % similar 5-Bromo-2-(trifluoromethoxy)benzaldehyde923281-52-159 % similar 5-Fluoro-2-methoxybenzaldehyde19415-51-158 % similar 5-Bromo-2-methoxybenzaldehyde25016-01-755 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methoxy-2-(trifluoromethyl)benzoic acid127817-85-0 2,4,5-Trifluoro-3-methoxy-benzoic acid methyl ester136897-64-8 Methyl 2-(trifluoromethoxy)benzoate148437-99-4 Methyl 3-(trifluoromethoxy)benzoate148438-00-0 3-(Trifluoromethoxy)phenylacetic Acid203302-97-0 4-Methoxy-3-(trifluoromethyl)benzoic acid213598-09-5 2-(Trifluoromethoxy)benzeneacetic acid220239-67-8 3-Methoxy-4-(trifluoromethyl)benzoic acid276861-63-3

Elsewhere

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