2-Amino-5-(trifluoromethoxy)benzoic acid

C₈H₆F₃NO₃CAS 83265-56-9221.14 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid Ether Primary amine

Properties

Molecular formula: C₈H₆F₃NO₃
Molar mass: 221.14 g/mol
Exact mass: 221.0300 Da
logP: 1.87Crippen estimate
Polar surface area: 72.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

Danger

H301 Toxic 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

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, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

83265-56-9

SMILES

C1=CC(=C(C=C1OC(F)(F)F)C(=O)O)N

InChIKey

UXNGDCBPIGOZFO-UHFFFAOYSA-N

InChI

InChI=1S/C8H6F3NO3/c9-8(10,11)15-4-1-2-6(12)5(3-4)7(13)14/h1-3H,12H2,(H,13,14)

Weigh it out

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

Work with 2-Amino-5-(trifluoromethoxy)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

5-Trifluoromethoxysalicylic acid129644-57-168 % similar 2-Fluoro-5-(trifluoromethoxy)benzoic acid886497-85-468 % similar 2-Methoxy-5-(trifluoromethoxy)benzoic acid191604-88-367 % similar 5-Methoxyanthranilic acid6705-03-964 % similar 2-Amino-5-(trifluoromethyl)benzoic acid83265-53-659 % similar 4-(Trifluoromethoxy)benzoic acid330-12-156 % similar 2-Amino-5-fluorobenzoic acid446-08-255 % similar 3-(Trifluoromethoxy)benzoic acid1014-81-955 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-(2,2,2-Trifluoroethoxy)pyridine-3-carboxylic acid175204-90-7 4-Amino-3-(trifluoromethoxy)benzoic acid175278-22-5 3-Methoxy-5-nitrobenzotrifluoride328-79-0 2-Nitro-4-trifluoromethylanisole394-25-2 4-Nitro-2-(trifluoromethyl)anisole654-76-2

Elsewhere

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