4-Chloro-2-(trifluoromethyl)benzaldehyde

C₈H₄ClF₃OCAS 320-43-4208.56 g/mol

Open in Covalent MOL file

Aldehyde Alkyl halide Aryl halide

Properties

Molecular formula: C₈H₄ClF₃O
Molar mass: 208.56 g/mol
Exact mass: 207.9903 Da
logP: 3.17Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

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

Aggregated from 6 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

320-43-4

SMILES

C1=CC(=C(C=C1Cl)C(F)(F)F)C=O

InChIKey

AHFINSWGYAZBOZ-UHFFFAOYSA-N

InChI

InChI=1S/C8H4ClF3O/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-Chloro-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

2,4-Bis(trifluoromethyl)benzaldehyde59664-42-564 % similar 4-Bromo-2-(trifluoromethyl)benzaldehyde861928-27-062 % similar 4-Fluoro-2-(trifluoromethyl)benzaldehyde90176-80-062 % similar 4-Chloro-2-fluorobenzaldehyde61072-56-856 % similar 4-Methoxy-2-(trifluoromethyl)benzaldehyde106312-36-155 % similar 1,4-Dichloro-2-(trifluoromethyl)benzene320-50-355 % similar 2-(Trifluoromethyl)benzaldehyde447-61-055 % similar 2,4-Dichlorobenzaldehyde874-42-055 % similar

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

Same formula

3-(Trifluoromethyl)benzoyl chloride2251-65-2 2-(Trifluoromethyl)benzoyl chloride312-94-7 1-(4-Chlorophenyl)-2,2,2-trifluoroethanone321-37-9 4-(Trifluoromethyl)benzoyl chloride329-15-7 4-Chloro-3-(trifluoromethyl)benzaldehyde34328-46-6 2-Chloro-4-(trifluoromethyl)benzaldehyde82096-91-1 2-Chloro-5-(trifluoromethyl)benzaldehyde82386-89-8 5-Chloro-2-(trifluoromethyl)benzaldehyde90381-07-0

Elsewhere

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