2-Bromo-4-nitrophenol

C₆H₄BrNO₃CAS 5847-59-6218.01 g/mol

Open in Covalent MOL file

Aryl halide Nitro Phenol

Properties

Molecular formula: C₆H₄BrNO₃
Molar mass: 218.01 g/mol
Exact mass: 216.9375 Da
Melting point: 112.25 °C
logP: 2.06Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H400 Very toxic to aquatic life95.2% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P317, P330, P391, P501

Identifiers

CAS number

5847-59-6

SMILES

O=[N+]([O-])c1ccc(O)c(Br)c1

InChIKey

DCIPFSYBGTWYCR-UHFFFAOYSA-N

InChI

InChI=1S/C6H4BrNO3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H

Weigh it out

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

Names and synonyms

2 names

Phenol, 2-bromo-4-nitro-
NSC 212120

Work with 2-Bromo-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-Nitrocatechol3316-09-468 % similar 2,6-Dibromo-4-nitrophenol99-28-566 % similar Nitrofungin619-08-965 % similar 2,4-Dinitrophenol51-28-564 % similar 2-Methyl-4-nitrophenol99-53-662 % similar 2-Bromo-4-nitrobenzenamine13296-94-160 % similar 2-Bromo-1-chloro-4-nitrobenzene16588-26-460 % similar 2-Fluoro-4-nitrophenol403-19-060 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid104612-36-4 2-Bromo-6-nitrophenol13073-25-1 5-Bromo-2-nitrophenol27684-84-0 5-Bromo-6-hydroxynicotinic acid41668-13-7 3-Bromo-4-nitrophenol5470-65-5 4-Bromo-2-nitrophenol7693-52-9

Elsewhere

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