| Identification | More | [Name]
4-Bromo-2-nitrophenol | [CAS]
7693-52-9 | [Synonyms]
2-NITRO-4-BROMOPHENOL
4-BROMO-1-HYDROXY-2-NITROBENZENE
4-BROMO-2-NITROPHENOL
4-bromo-2-nitro-pheno
nsc402972
PHENOL, 2-NITRO-5-BROMO- | [EINECS(EC#)]
231-707-4 | [Molecular Formula]
C6H4BrNO3 | [MDL Number]
MFCD00082540 | [Molecular Weight]
218 | [MOL File]
7693-52-9.mol |
| Chemical Properties | Back Directory | [Appearance]
yellow crystalline powder or crystals | [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 | [form ]
Crystalline Powder or Crystals | [pka]
6.28±0.14(Predicted) | [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) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [WGK Germany ]
3
| [RTECS ]
SJ8370000
| [Hazard Note ]
Harmful | [HS Code ]
29089990 |
| Hazard Information | Back Directory | [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. |
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