Description

4-Bromo-4′,4”-dimethyltriphenylamine (CAS No. 58047-42-0) is a high-purity organic compound with the molecular formula C₂₀H₁₈BrN. This brominated triphenylamine derivative is a versatile building block in organic synthesis, particularly in the development of advanced materials such as organic semiconductors, photoconductors, and hole-transporting layers for optoelectronic devices. Its well-defined structure, featuring a bromine substituent and two methyl groups, makes it an ideal candidate for cross-coupling reactions (e.g., Suzuki, Heck, or Buchwald-Hartwig couplings) to construct complex aromatic systems. With a purity of 97%, this compound is rigorously tested for consistency and performance, ensuring reliable results for researchers and industrial applications. Suitable for use in OLEDs, photovoltaic research, and as a precursor in pharmaceutical intermediates.

Properties

• CAS Number: 58047-42-0
• Complexity: 299
• IUPAC Name: N-(4-bromophenyl)-4-methyl-N-(p-tolyl)aniline
• InChI: InChI=1S/C20H18BrN/c1-15-3-9-18(10-4-15)22(19-11-5-16(2)6-12-19)20-13-7-17(21)8-14-20/h3-14H,1-2H3
• InChI Key: YMNJJMJHTXGFOR-UHFFFAOYSA-N
• Exact Mass: 351.06226
• Molecular Formula: C20H18BrN
• Molecular Weight: 352.3
• SMILES: CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C)C3=CC=C(C=C3)Br
• Topological: 3.2
• Monoisotopic Mass: 351.06226
• Synonyms: 4-Bromo-4′,4”-dimethyltriphenylamine, 678-238-5, 58047-42-0, 4-Bromo-N,N-di-p-tolylaniline, 4-Bromo-4,4-dimethyltriphenylamine, N-(4-bromophenyl)-4-methyl-N-(4-methylphenyl)aniline, (4-bromophenyl)-di-p-tolylamine, MFCD03093258, Benzenamine, 4-bromo-N,N-bis(4-methylphenyl)-, (4-Bromo-phenyl)-di-p-tolyl-amine, 4-bromo-N,N-bis(4-methylphenyl)aniline, SCHEMBL106962, DTXSID70456772, N,N-di(p-tolyl)-4-bromoaniline, AKOS015915417, Bis(p-methylphenyl)-p-bromophenylamine, CS-W016708, AC-32114, AS-40176, SY052831, 4-Bromo-4′,4”-dimethyltriphenylamine, DB-072409, B3089, 4-Bromo-4′,4”-dimethyltriphenylamine, 97%

4-Bromo-4′,4”-dimethyltriphenylamine is widely used in organic electronics as a key intermediate for synthesizing hole-transport materials in OLEDs and perovskite solar cells. Its bromine moiety enables facile functionalization via metal-catalyzed cross-coupling reactions, making it valuable for constructing conjugated polymers or small-molecule semiconductors. Researchers also employ it in photoredox catalysis and as a ligand scaffold in coordination chemistry. Its stability and tunable electronic properties make it suitable for exploratory materials science applications.

Safety and Hazards

GHS Hazard Statements

• H302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (95.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (95.1%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (95.1%)

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