B82200

4-Bromotoluene

98%

• Sinónimos: 1-Methyl-4-bromobenzene, 4-Bromo-1-methylbenzene, 4-Methyl-1-bromobenzene, 4-Methylbromobenzene, 4-Tolyl bromide, p-Bromo(methyl)benzene, p-Methylbromobenzene, p-Tolyl bromide
• Fórmula lineal: CH₃C₆H₄Br
• Número de CAS: 106-38-7
• Peso molecular: 171.03
• Beilstein: 1903636
• Número CE: 203-391-8
• Número MDL: MFCD00000109
• Código UNSPSC: 12352100
• ID de la sustancia en PubChem: 24892060
• NACRES: NA.22

Propiedades

• Nivel de calidad: 200
• Ensayo: 98%
• Formulario: solid
• bp: 184 °C (lit.)
• mp: 26-29 °C (lit.)
• densidad: 1.39 g/mL at 25 °C (lit.)
• cadena SMILES: Cc1ccc(Br)cc1
• InChI: 1S/C7H7Br/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
• Clave InChI: ZBTMRBYMKUEVEU-UHFFFAOYSA-N

Descripción

Descripción general

4-Bromotoluene is a p-substituted aryl bromide.[1] 4-Bromotoluene undergoes C-O coupling reaction with 2,4-dimethylphenol catalyzed by the CuI/K₂CO₃/phen system. Complexes [Cu(phen)(1-(2,4-dimethylphenoxy)-4-methylbenzene)]⁺, {H[Cu(phen)(2,4-dimethylphenoxy)]}⁺ and [Cu(2,4-dimethylphenoxy)₂]^- were reported as intermediates during the reaction by in situ electrospray ionization mass spectrometry (ESI-MS) analysis.[2] Suzuki coupling reaction of 4-bromotoluene and non-fluorescent phenylboronic acid (PBA) in the presence of palladium (II) acetate as a catalyst has been studied.[1] Palladium catalyzed C-N cross-coupling reaction of 4-bromotoluene with piperidine in a microstructured continuous reactor has been described.[3] 4-Bromotoluene has been reported to undergo Heck reaction with styrene in the presence of in situ generated palladium complexes of phosphine-functionalized N-heterocyclic carbene ligands.[4]

Aplicación

4-Bromotoluene was used in the synthesis of ketones by Cu/Pd-catalyzed decarboxylative cross-coupling reaction.[5]

Información de seguridad

• Pictogramas: GHS07,GHS09
• Palabra de señalización: Warning
• Frases de peligro: H332,H411
• Consejos de prudencia: P261 - P271 - P273 - P304 + P340 + P312 - P391 - P501
• Clasificaciones de peligro: Acute Tox. 4 Inhalation - Aquatic Chronic 2
• Código de clase de almacenamiento: 11 - Combustible Solids
• Clase de riesgo para el agua (WGK): WGK 3
• Punto de inflamabilidad (°F): Not applicable
• Punto de inflamabilidad (°C): Not applicable
• Equipo de protección personal: dust mask type N95 (US), Eyeshields, Gloves