2-Hydroxy-5-trifluoromethyl benzoic acid

C₈H₅F₃O₃CAS 79427-88-6206.12 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

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation96.8% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 31 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

79427-88-6

SMILES

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

InChIKey

YQDOJQUHDQGQPH-UHFFFAOYSA-N

InChI

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

1 names

2-Hydroxy-5-(trifluoromethyl)benzoic Acid

Work with 2-Hydroxy-5-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-Hydroxy-4-(trifluoromethyl)benzoic acid328-90-576 % similar 4-(Trifluoromethyl)phthalic acid835-58-573 % similar 2,5-Bis(trifluoromethyl)benzoic acid42580-42-769 % similar 2-Fluoro-5-(trifluoromethyl)benzoic acid115029-23-767 % similar 2-Methyl-5-(trifluoromethyl)benzoic acid13055-63-565 % similar 2-Bromo-5-(trifluoromethyl)benzoic acid1483-56-365 % similar 2-Chloro-5-(trifluoromethyl)benzoic acid657-06-765 % similar 2-Iodo-5-(trifluoromethyl)benzoic acid702641-04-165 % 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 2-Hydroxy-3-(trifluoromethyl)benzoic acid251300-32-0 4-Hydroxy-2-(trifluoromethyl)benzoic acid320-32-1

Elsewhere

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