3-Chloro-2-fluoro-6-(trifluoromethyl)benzaldehyde

C₈H₃ClF₄OCAS 186517-29-3226.55 g/mol

Open in Covalent MOL file

Aldehyde Alkyl halide Aryl halide

Properties

Molecular formula: C₈H₃ClF₄O
Molar mass: 226.55 g/mol
Exact mass: 225.9809 Da
logP: 3.31Crippen 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 44 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

186517-29-3

SMILES

C1=CC(=C(C(=C1C(F)(F)F)C=O)F)Cl

InChIKey

WTVMLHFHFBCCBP-UHFFFAOYSA-N

InChI

InChI=1S/C8H3ClF4O/c9-6-2-1-5(8(11,12)13)4(3-14)7(6)10/h1-3H

Weigh it out

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

Work with 3-Chloro-2-fluoro-6-(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

3-Chloro-2,6-difluorobenzaldehyde190011-87-160 % similar 2-Fluoro-6-(trifluoromethyl)benzaldehyde60611-24-754 % similar 4-Chloro-3-(trifluoromethyl)benzaldehyde34328-46-653 % similar 6-Chloro-2,3-difluorobenzaldehyde797791-33-451 % similar 2-Fluoro-3-(trifluoromethyl)benzaldehyde112641-20-050 % similar 3-Chloro-2-fluoro-6-(trifluoromethyl)benzoic acid186517-41-950 % similar 6-Chloro-2-fluoro-3-methylbenzaldehyde286474-59-749 % similar 3-Chloro-2-fluoro-6-(trifluoromethyl)benzamide186517-42-047 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluoro-6-(trifluoromethyl)benzoyl chloride109227-12-5 2-Fluoro-4-(trifluoromethyl)benzoyl chloride126917-10-0 3-Fluoro-5-(trifluoromethyl)benzoyl chloride171243-30-4 4-Fluoro-2-(trifluoromethyl)benzoyl chloride189807-21-4 2-Fluoro-5-(trifluoromethyl)benzoyl chloride207981-46-2 2-Fluoro-3-(trifluoromethyl)benzoyl chloride208173-19-7 3-Fluoro-4-(trifluoromethyl)benzoyl chloride216144-68-2 5-Fluoro-2-(trifluoromethyl)benzoyl chloride216144-70-6

Elsewhere

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