2-Hydroxy-4-(trifluoromethyl)benzaldehyde

C₈H₅F₃O₂CAS 58914-34-4190.12 g/mol

Open in Covalent MOL file

Aldehyde Alkyl halide Phenol

Properties

Molecular formula: C₈H₅F₃O₂
Molar mass: 190.12 g/mol
Exact mass: 190.0242 Da
logP: 2.22Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

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

Weigh it out

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

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-Trifluorophenylacetic acid209995-38-0 4-Hydroxy-3-(trifluoromethyl)benzaldehyde220227-98-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook