2-Hydroxy-3-(trifluoromethyl)benzoic acid

C₈H₅F₃O₃CAS 251300-32-0206.12 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid Phenol

Properties

Molecular formula: C₈H₅F₃O₃
Molar mass: 206.12 g/mol
Exact mass: 206.0191 Da
logP: 2.11Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

251300-32-0

SMILES

O=C(O)c1cccc(C(F)(F)F)c1O

InChIKey

OLLHFGFVHWLQJO-UHFFFAOYSA-N

InChI

InChI=1S/C8H5F3O3/c9-8(10,11)5-3-1-2-4(6(5)12)7(13)14/h1-3,12H,(H,13,14)

Weigh it out

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

Names and synonyms

2 names

Benzoic acid, 2-hydroxy-3-(trifluoromethyl)-
3-(Trifluoromethyl)salicylic acid

Work with 2-Hydroxy-3-(trifluoromethyl)benzoic acid

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-(Trifluoromethyl)benzoic acid433-97-670 % similar 2-Fluoro-3-(trifluoromethyl)benzoic acid115029-22-667 % similar 2-Chloro-3-(trifluoromethyl)benzoic acid39226-97-667 % similar 2-Bromo-3-(trifluoromethyl)benzoic acid177420-63-265 % similar 2-Amino-3-(trifluoromethyl)benzoic acid313-12-265 % similar 2-Methyl-3-(trifluoromethyl)benzoic acid62089-35-465 % similar 2-Hydroxy-1,3-benzenedicarboxylic acid606-19-965 % similar 2,6-Bis(trifluoromethyl)benzoic acid24821-22-562 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(Trifluoromethoxy)benzoic acid1014-81-9 2,4,5-Trifluoro-3-methoxybenzoic acid112811-65-1 3-Methoxy-2,4,5-trifluorobenzoic acid11281-65-5 2-(Trifluoromethoxy)benzoic acid150436-84-3 2-(Trifluoromethoxy)benzoic acid1979-29-9 4-Hydroxy-3-(trifluoromethyl)benzoic acid220239-68-9 4-Hydroxy-2-(trifluoromethyl)benzoic acid320-32-1 4,4,4-Trifluoro-1-(2-furanyl)-1,3-butanedione326-90-9

Elsewhere

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