187062

3-Bromobenzyl bromide

99%

• Synonym(s): α,3-Dibromotoluene
• Linear Formula: BrC₆H₄CH₂Br
• CAS Number: 823-78-9
• Molecular Weight: 249.93
• Beilstein/REAXYS Number: 2078683
• EC Number: 212-519-1
• MDL number: MFCD00000176
• UNSPSC Code: 12352100
• PubChem Substance ID: 24851249
• NACRES: NA.22

Properties

• assay: 99%
• form: solid
• mp: 39-41 °C (lit.)
• functional group: bromo
• SMILES string: BrCc1cccc(Br)c1
• InChI: 1S/C7H6Br2/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2
• InChI key: ZPCJPJQUVRIILS-UHFFFAOYSA-N

Description

General description

3-Bromobenzyl bromide undergoes reduction with diethylzinc in the presence of Pd(PPh₃)₄ to yield corresponding hydrocarbon.

Application

3-Bromobenzyl bromide was used in the synthesis of:

• 1,7-di(3-bromobenzyl)cyclen
• substituted 8-arylquinoline, phosphodiesterase 4 (PDE4) inhibitors

Safety Information

• pictograms: GHS05
• signalword: Danger
• hcodes: H314
• pcodes: P260 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363
• Hazard Classifications: Skin Corr. 1B
• Storage Class: 8A - Combustible corrosive hazardous materials
• wgk_germany: WGK 3
• flash_point_f: 235.4 °F - closed cup
• flash_point_c: 113 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges