4-Hydroxy-3-(trifluoromethyl)benzaldehyde

C₈H₅F₃O₂CAS 220227-98-5190.12 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 swallowed84.8% of notifiers
H315 Causes skin irritation15.2% of notifiers
H317 May cause an allergic skin reaction84.8% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation15.2% of notifiers
H411 Toxic to aquatic life with long lasting effects84.8% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

220227-98-5

SMILES

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

InChIKey

ZLMUFCNWTPSOSN-UHFFFAOYSA-N

InChI

InChI=1S/C8H5F3O2/c9-8(10,11)6-3-5(4-12)1-2-7(6)13/h1-4,13H

Weigh it out

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

Work with 4-Hydroxy-3-(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

4-Fluoro-3-(trifluoromethyl)benzaldehyde67515-60-062 % similar 4-Chloro-3-(trifluoromethyl)benzaldehyde34328-46-660 % similar Protocatechuic aldehyde139-85-558 % similar 3-Fluoro-4-(trifluoromethyl)benzaldehyde204339-72-057 % similar 3-Fluoro-4-hydroxybenzaldehyde405-05-056 % similar 4-Methoxy-3-(trifluoromethyl)benzaldehyde50823-87-555 % similar 4-Hydroxy-3-(trifluoromethoxy)benzaldehyde53104-95-355 % similar 4-Hydroxyisophthalaldehyde3328-70-955 % 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 2-(2,3,4-Trifluorophenyl)acetic acid243666-12-8

Elsewhere

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