4-Amino-2,6-difluorophenol

C₆H₅F₂NOCAS 126058-97-7145.11 g/mol

Open in Covalent MOL file

Aryl halide Phenol Primary amine

Properties

Molecular formula: C₆H₅F₂NO
Molar mass: 145.11 g/mol
Exact mass: 145.0339 Da
logP: 1.25Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed33.3% of notifiers
H314 Causes severe skin burns and eye damage33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

126058-97-7

SMILES

C1=C(C=C(C(=C1F)O)F)N

InChIKey

RFEOSYDHBGPXCU-UHFFFAOYSA-N

InChI

InChI=1S/C6H5F2NO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H,9H2

Weigh it out

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

Work with 4-Amino-2,6-difluorophenol

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

3,4,5-Trifluorobenzenamine163733-96-857 % similar 2,4,6-Trifluorophenol2268-17-957 % similar 4-Bromo-2,6-difluorophenol104197-13-952 % similar 3,5-Difluoro-4-iodoaniline1542-34-352 % similar 4-Chloro-2,6-difluorophenol164790-68-552 % similar 4-Bromo-3,5-difluoroaniline203302-95-852 % similar 4-Amino-2-fluorophenol399-96-252 % similar 3,5-Difluoro-4-(trifluoromethyl)benzenamine123950-44-748 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Amino-2,4-difluorophenol113512-71-3 4-Amino-2,5-difluorophenol120103-19-7 2-Amino-4,6-difluorophenol133788-83-7 4-Amino-2,3-difluorophenol163733-99-1

Elsewhere

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