3-Fluoro-4-nitrophenol

C₆H₄FNO₃CAS 394-41-2157.10 g/mol

Open in Covalent MOL file

Aryl halide Nitro Phenol

Properties

Molecular formula: C₆H₄FNO₃
Molar mass: 157.10 g/mol
Exact mass: 157.0175 Da
Melting point: 91.5–92.5 °C
logP: 1.44Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation98% of notifiers
H318 Causes serious eye damage84.3% of notifiers
H319 Causes serious eye irritation13.7% of notifiers
H335 May cause respiratory irritation96.1% of notifiers

Aggregated from 51 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

394-41-2

SMILES

O=[N+]([O-])c1ccc(O)cc1F

InChIKey

CSSGKHVRDGATJL-UHFFFAOYSA-N

InChI

InChI=1S/C6H4FNO3/c7-5-3-4(9)1-2-6(5)8(10)11/h1-3,9H

Weigh it out

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

Names and synonyms

3 names

Phenol, 3-fluoro-4-nitro-
4-Nitro-3-fluorophenol
2-Fluoro-4-hydroxy-1-nitrobenzene

Work with 3-Fluoro-4-nitrophenol

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-Bromo-2-fluoro-1-nitrobenzene321-23-365 % similar 2,4-Difluoronitrobenzene446-35-564 % similar 3-Fluoro-4-nitrobenzenamine2369-13-360 % similar 3-Methyl-4-nitrophenol2581-34-260 % similar 2-Fluoro-4-methyl-1-nitrobenzene446-34-460 % similar 3-Bromo-4-nitrophenol5470-65-560 % similar 4-Chloro-2-fluoro-1-nitrobenzene700-37-860 % similar 3-Fluoro-4-nitrobenzonitrile218632-01-059 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluoro-6-nitrophenol1526-17-6 2-Fluoro-3-nitrophenol179816-26-3 4-Fluoro-3-nitrophenol2105-96-6 3-Fluoro-2-nitrophenol385-01-3 4-Fluoro-2-nitrophenol394-33-2 2-Fluoro-4-nitrophenol403-19-0 5-Fluoro-2-nitrophenol446-36-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook