B82006

2-Bromotoluene

99%

• Linear Formula: CH₃C₆H₄Br
• CAS Number: 95-46-5
• Molecular Weight: 171.03
• Beilstein: 1904176
• EC Number: 202-421-7
• MDL number: MFCD00000068
• UNSPSC Code: 12352100
• PubChem Substance ID: 24892059
• NACRES: NA.22

Properties

• Assay: 99%
• form: liquid
• refractive index: n20/D 1.555 (lit.)
• bp: 58-60 °C/10 mmHg (lit.)
• mp: −27 °C (lit.)
• density: 1.422 g/mL at 25 °C (lit.)
• storage temp.: 2-8°C
• SMILES string: Cc1ccccc1Br
• InChI: 1S/C7H7Br/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
• InChI key: QSSXJPIWXQTSIX-UHFFFAOYSA-N

Description

General description

2-Bromotoluene is an an electron rich heteroaryl bromide. Heck reactions of 2-bromo toluene with cycloalkene (cyclododecene) and linear alkenes (dec-1-ene, allylbenzene) catalyzed by tedicyp (cis,cis,cis -1,2,3,4-tetrakis(diphenylphosphinomethyl)cyclopentane)-palladium complex has been studied. Vibrational spectral analysis of 2-bromobenzene by Raman and infrared spectroscopy at 50-4000cm^-1 has been investigated. Suzuki cross-coupling of 2-bromobenzene with benzeneboronic acid catalyzed by the Tedicyp-palladium complex has been studied. Suzuki coupling of 2-bromotoluene with phenylboronic acid using palladium nanoparticles supported on alumina-based oxides as catalyst has been reported.

Application

2-Bromotoluene was used in the synthesis of (±)-isocomene.

Safety Information

• Pictograms: GHS07,GHS09
• Signal Word: Warning
• Hazard Statements: H302,H411
• Precautionary Statements: P264 - P270 - P273 - P301 + P312 - P391 - P501
• Hazard Classifications: Acute Tox. 4 Oral - Aquatic Chronic 2
• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point(F): 174.2 °F
• Flash Point(C): 79 °C
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves