4-Bromo-2-nitrophenol
- CAS NO.：7693-52-9
- Empirical Formula: C6H4BrNO3
- Molecular Weight: 218
- MDL number: MFCD00082540
- EINECS: 231-707-4
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-10-23 20:41:25
What is 4-Bromo-2-nitrophenol?
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.
Properties of 4-Bromo-2-nitrophenol
| 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 |
| CAS DataBase Reference | 7693-52-9(CAS DataBase Reference) |
Safety information for 4-Bromo-2-nitrophenol
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 4-Bromo-2-nitrophenol
| InChIKey | CUTFAPGINUFNQM-UHFFFAOYSA-N |
| SMILES | C1(O)=CC=C(Br)C=C1[N+]([O-])=O |
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