4-Bromo-2-nitrophenol

C6H4BrNO3CAS 7693-52-9218.01 g/mol

ON+O−BrHO
Aryl halideNitroPhenol

Properties

Molecular formula
C6H4BrNO3
Molar mass
218.01 g/mol
Exact mass
216.9375 Da
Melting point
92 °C
logP
2.06Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 47 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
7693-52-9
SMILES
O=[N+]([O-])c1cc(Br)ccc1O
InChIKey
CUTFAPGINUFNQM-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BrNO3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H

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

Names and synonyms

2 names
  • Phenol, 4-bromo-2-nitro-
  • NSC 402972

Work with 4-Bromo-2-nitrophenol

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue.

Same formula

Elsewhere