4-Bromo-2-fluoro-6-nitrophenol

C₆H₃BrFNO₃CAS 320-76-3236.00 g/mol

Open in Covalent MOL file

Aryl halide Nitro Phenol

Properties

Molecular formula: C₆H₃BrFNO₃
Molar mass: 236.00 g/mol
Exact mass: 234.9280 Da
Melting point: 62 °C
logP: 2.20Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin91.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled91.3% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 46 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

320-76-3

SMILES

O=[N+]([O-])c1cc(Br)cc(F)c1O

InChIKey

ACQVEWFMUBXEMR-UHFFFAOYSA-N

InChI

InChI=1S/C6H3BrFNO3/c7-3-1-4(8)6(10)5(2-3)9(11)12/h1-2,10H

Weigh it out

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

Names and synonyms

2 names

Phenol, 4-bromo-2-fluoro-6-nitro-
2-Fluoro-4-bromo-6-nitrophenol

Work with 4-Bromo-2-fluoro-6-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

2,4-Difluoro-6-nitrophenol364-31-869 % similar 4-Bromo-2-fluoro-6-nitrotoluene502496-34-663 % similar 5-Bromo-1,3-difluoro-2-nitrobenzene147808-42-260 % similar 4-Bromo-2-fluoro-1-nitrobenzene321-23-359 % similar 4-Bromo-1-fluoro-2-nitrobenzene364-73-859 % similar 4-Bromo-2-fluoro-6-nitroanisole74266-66-359 % similar 2,6-Dinitro-4-fluorophenol364-32-957 % similar 4-Bromo-2,6-difluorophenol104197-13-956 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-4-fluoro-5-nitrophenol84478-87-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook