3-Amino-4-fluorophenol

C₆H₆FNOCAS 62257-16-3127.12 g/mol

Open in Covalent MOL file

Aryl halide Phenol Primary amine

Properties

Molecular formula: C₆H₆FNO
Molar mass: 127.12 g/mol
Exact mass: 127.0433 Da
Melting point: 141–143 °C
logP: 1.11Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled85.7% of notifiers
H315 Causes skin irritation90.5% of notifiers
H319 Causes serious eye irritation90.5% of notifiers
H335 May cause respiratory irritation90.5% of notifiers

Aggregated from 21 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

62257-16-3

SMILES

Nc1cc(O)ccc1F

InChIKey

VJCSFNNTQGRAKH-UHFFFAOYSA-N

InChI

InChI=1S/C6H6FNO/c7-5-2-1-4(9)3-6(5)8/h1-3,9H,8H2

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Names and synonyms

2 names

Phenol, 3-amino-4-fluoro-
2-Fluoro-5-hydroxyaniline

Work with 3-Amino-4-fluorophenol

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-Amino-3-fluorophenol hydrochloride18266-53-062 % similar 3,4-Difluorophenol2713-33-960 % similar 5-Bromo-2-fluorobenzenamine2924-09-657 % similar 4-Fluoro-1,3-dihydroxybenzene103068-41-356 % similar 2,5-Difluoroaniline367-30-656 % similar 4-Fluorobenzene-1,3-diamine6264-67-156 % similar 3-Amino-4-bromophenol100367-37-152 % similar 3-Amino-4-chlorophenol16026-77-052 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluoro-6-methoxypyridine116241-61-3 2-Fluoro-3-pyridinemethanol131747-55-2 5-Fluoro-3-pyridinemethanol22620-32-2 3-Fluoro-2-pyridinemethanol31181-79-0 4-Amino-3-fluorophenol399-95-1 4-Amino-2-fluorophenol399-96-2 2-Amino-4-fluorophenol399-97-3 2-Methoxy-5-fluoropyridine51173-04-7

Elsewhere

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