| Identification | More | [Name]
4-Bromo-3,5-dimethylphenol | [CAS]
7463-51-6 | [Synonyms]
4-BROMO-3,5-DIMETHYLPHENOL
4-BROMO-3,5-XYLENOL
4-bromo-3,5-dimethylphenol 4-Bromo-3,5-xylenol
4-Bromo-3,5-dimethylphenol 99%
3，5-Dimethyl-4-bromophenol
Phenol, 4-bromo-3,5-dimethyl- | [EINECS(EC#)]
231-255-8 | [Molecular Formula]
C8H9BrO | [MDL Number]
MFCD00002315 | [Molecular Weight]
201.06 | [MOL File]
7463-51-6.mol |
| Chemical Properties | Back Directory | [Appearance]
COLORLESS TO SLIGHTLY PINK CRYSTALS OR POWDER | [Melting point ]
113-115 °C(lit.) | [Boiling point ]
195.33°C (rough estimate) | [density ]
1.3646 (rough estimate) | [refractive index ]
1.5650 (estimate) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
Crystals or Powder | [pka]
9?+-.0.23(Predicted) | [color ]
Colorless to slightly pink | [BRN ]
2207127 | [InChI]
InChI=1S/C8H9BrO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3 | [InChIKey]
WMUWDPLTTLJNPE-UHFFFAOYSA-N | [SMILES]
C1(O)=CC(C)=C(Br)C(C)=C1 | [CAS DataBase Reference]
7463-51-6(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
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 .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29081990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
COLORLESS TO SLIGHTLY PINK CRYSTALS OR POWDER | [Uses]
4-Bromo-3,5-dimethylphenol is used as a reactant in the synthesis of chromen-4-one and isoflavone scaffolds. | [Synthesis]
General procedure for the synthesis of 4-bromo-3,5-dimethylphenol from 3,5-dimethylphenol: To a mixture of 3,5-dimethylphenol (0.7 mmol) was added a dichloromethane (30 mL)-methanol (15 mL) solution of brominating agent (1) (0.72 g, 0.7 mmol). The reaction mixture was stirred at room temperature until the orange solution faded. The progress of the reaction was monitored by thin layer chromatography (TLC) (eluent: hexane/ethyl acetate, 7:3). After completion of the reaction, the solvent was evaporated and ether (10 mL) was added to the residue. The supernatant was decanted and the insoluble residue was washed with ether (3 x 10 mL). The ether extracts were combined, dried with magnesium sulfate, and the solvent was evaporated under vacuum to obtain the crude 4-bromo-3,5-dimethylphenol. The target product was purified by silica gel fast column chromatography (eluent: hexane/ethyl acetate, 7:3). | [References]
[1] Canadian Journal of Chemistry, 2009, vol. 87, # 2, p. 440 - 447
[2] Bulletin of the Chemical Society of Japan, 1987, vol. 60, # 11, p. 4187 - 4189
[3] Synlett, 2011, # 15, p. 2265 - 2269
[4] Journal of the Iranian Chemical Society, 2016, vol. 13, # 11, p. 2019 - 2028
[5] Tetrahedron, 2007, vol. 63, # 34, p. 8242 - 8249 |
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Alfa Aesar
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