4-Amino-3-fluorophenol

C₆H₆FNOCAS 399-95-1127.12 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: 139 °C
logP: 1.11Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowedAcute toxicity, oral
H317 May cause an allergic skin reactionSensitization, Skin
H350 May cause cancerCarcinogenicity
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 604-028-00-X), via PubChem.

Precautionary statements

P203, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P318, P321, P330, P333+P317, P362+P364, P391, P405, P501

Identifiers

CAS number

399-95-1

SMILES

Nc1ccc(O)cc1F

InChIKey

MNPLTKHJEAFOCA-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

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

Work with 4-Amino-3-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Amino-3-fluorophenol hydrochloride18266-53-0Salt

Similar compounds

3-Amino-4-fluorophenol62257-16-369 % similar 3,4-Difluorophenol2713-33-960 % similar 4-Bromo-2-fluoroaniline367-24-857 % similar 2,4-Difluoroaniline367-25-956 % similar 4-Bromo-3-fluorophenol121219-03-252 % similar 4-Amino-3-chlorophenol17609-80-252 % similar 4-Amino-3-methylphenol2835-99-652 % similar 2-Fluoro-4-iodoaniline29632-74-452 % 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-2-fluorophenol399-96-2 2-Amino-4-fluorophenol399-97-3 2-Methoxy-5-fluoropyridine51173-04-7 2-Amino-3-fluorophenol53981-23-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook