chempirical

2-Chloro-4-(trifluoromethyl)benzaldehyde

C8H4ClF3OCAS 82096-91-1208.56 g/mol

Open in Covalent MOL file
FFFClO
AldehydeAlkyl halideAryl 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 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
82096-91-1
SMILES
C1=CC(=C(C=C1C(F)(F)F)Cl)C=O
InChIKey
YMMPHWVSJASKAC-UHFFFAOYSA-N
InChI
InChI=1S/C8H4ClF3O/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-4H

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Names and synonyms

1 names
  • 2-Chloro-4-trifluoromethylbenzaldehyde

Work with 2-Chloro-4-(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 2-Hydroxy-4-(trifluoromethyl)benzaldehyde58914-34-462 % similar 2-Fluoro-4-(trifluoromethyl)benzaldehyde89763-93-962 % similar 3-Chloro-2-fluoro-5-(trifluoromethyl)benzaldehyde261763-02-461 % similar 2-Bromo-4-(trifluoromethyl)benzaldehyde85118-24-760 % similar 2,5-Bis(trifluoromethyl)benzaldehyde395-64-259 % similar 3,4-Dichlorobenzotrifluoride328-84-758 % similar 2-Fluoro-5-(trifluoromethyl)benzaldehyde146137-78-257 % 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 4-Chloro-2-(trifluoromethyl)benzaldehyde320-43-4 1-(4-Chlorophenyl)-2,2,2-trifluoroethanone321-37-9 4-(Trifluoromethyl)benzoyl chloride329-15-7 4-Chloro-3-(trifluoromethyl)benzaldehyde34328-46-6 2-Chloro-5-(trifluoromethyl)benzaldehyde82386-89-8 5-Chloro-2-(trifluoromethyl)benzaldehyde90381-07-0

Elsewhere

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