chempirical

2-Hydroxy-4-(trifluoromethyl)benzaldehyde

C8H5F3O2CAS 58914-34-4190.12 g/mol

Open in Covalent MOL file
FFFOHO
AldehydeAlkyl halidePhenol

Properties

Molecular formula
C8H5F3O2
Molar mass
190.12 g/mol
Exact mass
190.0242 Da
logP
2.22Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
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
58914-34-4
SMILES
C1=CC(=C(C=C1C(F)(F)F)O)C=O
InChIKey
YHYNJGHMBMXAFB-UHFFFAOYSA-N
InChI
InChI=1S/C8H5F3O2/c9-8(10,11)6-2-1-5(4-12)7(13)3-6/h1-4,13H

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Names and synonyms

1 names
  • 2-Formyl-5-(trifluoromethyl)phenol, 4-formyl-3-hydroxybenzotrifluoride, 4-(trifluoromethyl)salicylaldehyde

Work with 2-Hydroxy-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)benzaldehyde59664-42-566 % similar 4-tert-Butyl-2-hydroxybenzaldehyde66232-34-664 % similar 2-Fluoro-4-(trifluoromethyl)benzaldehyde89763-93-964 % similar 2-Chloro-4-(trifluoromethyl)benzaldehyde82096-91-162 % similar 2-Bromo-4-(trifluoromethyl)benzaldehyde85118-24-762 % similar 2,5-Bis(trifluoromethyl)benzaldehyde395-64-261 % similar 2-Fluoro-5-(trifluoromethyl)benzaldehyde146137-78-259 % similar 2-Bromo-5-(trifluoromethyl)benzaldehyde102684-91-357 % similar

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

Same formula

2,4,5-Trifluoro-3-methylbenzoic acid112822-85-2 2,3,6-Trifluorophenylacetic acid114152-23-7 2-Methyl-3,4,6-trifluoro benzoic acid119916-22-2 2,3,5-Trifluorophenylacetic acid132992-28-0 3,4,5-Trifluorophenylacetic acid209991-62-8 2,4,6-Trifluorobenzeneacetic acid209991-63-9 (2,4,5-Trifluorophenyl)acetic acid209995-38-0 4-Hydroxy-3-(trifluoromethyl)benzaldehyde220227-98-5

Elsewhere

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