4-Methoxy-3-(trifluoromethyl)benzaldehyde

C₉H₇F₃O₂CAS 50823-87-5204.15 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

H302 Harmful if swallowed86.7% of notifiers
H315 Causes skin irritation15.6% of notifiers
H317 May cause an allergic skin reaction84.4% of notifiers
H319 Causes serious eye irritation15.6% of notifiers
H335 May cause respiratory irritation15.6% of notifiers
H412 Harmful to aquatic life with long lasting effects84.4% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

50823-87-5

SMILES

COc1ccc(C=O)cc1C(F)(F)F

InChIKey

UMZQFCFPWAFMRL-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

Benzaldehyde, 4-methoxy-3-(trifluoromethyl)-
3-Trifluoromethyl-4-methoxybenzaldehyde
4-Methoxy-3-trifluoromethylbenzaldehyde

Work with 4-Methoxy-3-(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

Veratraldehyde120-14-962 % similar 3-Fluoro-4-methoxybenzaldehyde351-54-259 % similar 4-Methoxy-3-methylbenzaldehyde32723-67-457 % similar 4-Fluoro-3-(trifluoromethyl)benzaldehyde67515-60-057 % similar 4-Fluoro-3-methoxybenzaldehyde128495-46-555 % similar 4-Bromo-1-methoxy-2-(trifluoromethyl)benzene1514-11-055 % similar 4-Hydroxy-3-(trifluoromethyl)benzaldehyde220227-98-555 % similar 3-Iodo-4-methoxybenzaldehyde2314-37-655 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methoxy-2-(trifluoromethyl)benzaldehyde106312-36-1 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

Elsewhere

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