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4-Bromo-2-nitrophenol

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4-Bromo-2-nitrophenol Basic information

Product Name:
4-Bromo-2-nitrophenol
Synonyms:
  • 4-Bromo-2-nitrophenol,98%
  • 4-Bromo-nitrophenol
  • 4-BroMo-2-nitrophenol, 98% 25GR
  • 2-Hydroxy-5-bromonitrobenzene
  • Phenol, 4-bromo-2-nitro-
  • 4-bromo-2-nitro-pheno
  • nsc402972
  • 4-BROMO-1-HYDROXY-2-NITROBENZENE
CAS:
7693-52-9
MF:
C6H4BrNO3
MW:
218
EINECS:
231-707-4
Product Categories:
  • blocks
  • Bromides
  • NitroCompounds
  • Aromatic Phenols
  • Phenyls & Phenyl-Het
  • Phenol&Thiophenol&Mercaptan
  • Phenyls & Phenyl-Het
  • Organic Building Blocks
  • Oxygen Compounds
  • Phenols
Mol File:
7693-52-9.mol
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4-Bromo-2-nitrophenol Chemical Properties

Melting point:
90-94 °C (lit.)
Boiling point:
259.4±20.0 °C(Predicted)
Density 
1.8994 (rough estimate)
refractive index 
1.6090 (estimate)
storage temp. 
Sealed in dry,Room Temperature
pka
6.28±0.14(Predicted)
form 
Crystalline Powder or Crystals
color 
Yellow
Water Solubility 
Slightly soluble
InChI
InChI=1S/C6H4BrNO3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H
InChIKey
CUTFAPGINUFNQM-UHFFFAOYSA-N
SMILES
C1(O)=CC=C(Br)C=C1[N+]([O-])=O
CAS DataBase Reference
7693-52-9(CAS DataBase Reference)
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Safety Information

Hazard Codes 
Xn
Risk Statements 
20/21/22-36/37/38-20/22
Safety Statements 
26-36-36/37/39
WGK Germany 
3
RTECS 
SJ8370000
Hazard Note 
Harmful
HS Code 
29089990

MSDS

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4-Bromo-2-nitrophenol Usage And Synthesis

Description

4-bromo-2-nitrophenol is an essential intermediate for fine chemical engineering. It can be used to synthesize derivatives with biological activity, such as heterocyclic compounds as peptidase inhibitors for treating diabetes, introducing fluorine-containing groups as pesticides, and aminic compounds as Btk inhibitors for treating immune diseases.

Chemical Properties

yellow crystalline powder or crystals

Synthesis Reference(s)

The Journal of Organic Chemistry, 32, p. 300, 1967 DOI: 10.1021/jo01288a012
Synthesis, p. 287, 1989

General Description

The Suzuki coupling of 4-bromo-2-nitrophenol with boronic acid was studied.

Synthesis

The synthesis method of 4-bromo-2-nitrophenol comprises the following steps: preparing nitric acid with a concentration of 7-8 M; dissolving p-bromophenol in dichloroethane to obtain a substrate with a concentration of 1.8-2.2 M; injecting the nitric acid and the substrate into a continuous flow reactor through two pumps respectively, mixing, controlling the temperature at 55-75°C, the reaction pressure at 0.35-0.45 MPa, and reacting for 20-30 min.

4-Bromo-2-nitrophenol Preparation Products And Raw materials

Raw materials

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