140066

1,3,5-Tribromobenzene

98%

• Synonym(s): 1,3,5-Tribromobenzene
• Empirical Formula (Hill Notation): C₆H₃Br₃
• CAS Number: 626-39-1
• Molecular Weight: 314.80
• Beilstein/REAXYS Number: 1858917
• EC Number: 210-947-3
• MDL number: MFCD00000080
• UNSPSC Code: 12352100
• PubChem Substance ID: 24848449
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 98%
• form: powder
• bp: 271 °C (lit.)
• mp: 117-121 °C (lit.)
• functional group: bromo
• SMILES string: Brc1cc(Br)cc(Br)c1
• InChI: 1S/C6H3Br3/c7-4-1-5(8)3-6(9)2-4/h1-3H
• InChI key: YWDUZLFWHVQCHY-UHFFFAOYSA-N

Description

General description

• 1,3,5-Tribromobenzene(TBB) acts as internal standard during derivatization step in determination of cyanide in human plasma and urine by gas chromatography-mass spectrometry.
• TBB forms molecular complexes of 1:2 stoichiometry with [60]-and [70] fullerenes.
• TBB reacts with perfluoroalkenylzinc reagent in the presence of Pd(Ph₃)₄ catalyst to yield a novel trifunctional monomer 1,3,5-tris(α, β, β-trifluorovinyl)benzene.

Safety Information

• hcodes: H413
• Hazard Classifications: Aquatic Chronic 4
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves, type N95 (US)