5-Amino-2-chloro-4-fluorophenol

C₆H₅ClFNOCAS 84478-72-8161.56 g/mol

Open in Covalent MOL file

Aryl halide Phenol Primary amine

Properties

Molecular formula: C₆H₅ClFNO
Molar mass: 161.56 g/mol
Exact mass: 161.0044 Da
Melting point: 145–146 °C (decomposes)
logP: 1.77Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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

84478-72-8

SMILES

Nc1cc(O)c(Cl)cc1F

InChIKey

AFZLCOLNTRPSIF-UHFFFAOYSA-N

InChI

InChI=1S/C6H5ClFNO/c7-3-1-4(8)5(9)2-6(3)10/h1-2,10H,9H2

Weigh it out

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

Names and synonyms

4 names

Phenol, 5-amino-2-chloro-4-fluoro-
2-Chloro-4-fluoro-5-aminophenol
4-Chloro-2-fluoro-5-hydroxyaniline
2-Fluoro-4-chloro-5-hydroxyaniline

Work with 5-Amino-2-chloro-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

5-Amino-2,4-difluorophenol113512-71-364 % similar 5-Amino-2,4-dichlorophenol39489-79-764 % similar 4-Amino-2,5-difluorophenol120103-19-759 % similar 4-Amino-2,5-dichlorophenol50392-39-759 % similar 2-Chloro-4,5-difluoroaniline2613-32-355 % similar 4-Chloro-5-fluoro-O-phenylenediamine139512-70-250 % similar 2,5-Dichlorohydroquinone824-69-150 % similar 2,4-Dichloro-5-fluoroaniline348-64-148 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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