2-[4-(Trifluoromethyl)phenyl]benzaldehyde

C₁₄H₉F₃OCAS 84392-23-4250.22 g/mol

Open in Covalent MOL file

Aldehyde Alkyl halide

Properties

Molecular formula: C₁₄H₉F₃O
Molar mass: 250.22 g/mol
Exact mass: 250.0605 Da
logP: 4.18Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed97.4% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H411 Toxic to aquatic life with long lasting effects97.4% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

84392-23-4

SMILES

C1=CC=C(C(=C1)C=O)C2=CC=C(C=C2)C(F)(F)F

InChIKey

UUSBTGUDEHRZTF-UHFFFAOYSA-N

InChI

InChI=1S/C14H9F3O/c15-14(16,17)12-7-5-10(6-8-12)13-4-2-1-3-11(13)9-18/h1-9H

Weigh it out

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

Work with 2-[4-(Trifluoromethyl)phenyl]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-(4-Fluorophenyl)benzaldehyde192863-46-062 % similar [1,1′-Biphenyl]-2-carboxaldehyde1203-68-561 % similar 4'-(Trifluoromethyl)-4-biphenylcarbaldehyde90035-34-056 % similar 2-(4-Pyridinyl)benzaldehyde176526-00-454 % similar (1,1'-Biphenyl)-2,2'-dicarboxaldehyde1210-05-553 % similar 2-(Trifluoromethyl)benzaldehyde447-61-053 % similar 4-(Trifluoromethyl)benzaldehyde455-19-652 % similar 4′-(Trifluoromethyl)[1,1′-biphenyl]-2-carboxylic acid84392-17-649 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3'-Trifluoromethylbiphenyl-4-carbaldehyde100036-64-4 3'-Trifluoromethylbiphenyl-3-carbaldehyde126091-24-5 2'-Trifluoromethyl-biphenyl-4-carbaldehyde198205-95-7 4'-Trifluoromethyl-biphenyl-3-carbaldehyde343604-24-0 2′-(Trifluoromethyl)[1,1′-biphenyl]-3-carboxaldehyde675596-31-3 Phenyl[2-(trifluoromethyl)phenyl]methanone727-99-1 3-(Trifluoromethyl)benzophenone728-81-4 4′-Trifluoromethylbenzophenone728-86-9

Elsewhere

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