Description

3-Bromo-N,N-diphenylaniline (CAS No. 78600-33-6) is a high-purity brominated aromatic amine with the molecular formula C₁₈H₁₄BrN. This compound is a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and advanced materials. Its structure features a bromine substituent at the 3-position of the aniline ring, flanked by two phenyl groups on the nitrogen, enhancing its reactivity in cross-coupling reactions such as Suzuki-Miyaura and Buchwald-Hartwig couplings. Suitable for researchers and industrial scientists, our product is rigorously tested for purity and consistency, ensuring optimal performance in demanding applications. Available in various quantities with detailed analytical documentation (GC/MS, NMR, HPLC).

Properties

• CAS Number: 78600-33-6
• Complexity: 263
• IUPAC Name: 3-bromo-N,N-diphenyl-aniline
• InChI: InChI=1S/C18H14BrN/c19-15-8-7-13-18(14-15)20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H
• InChI Key: YDXLVFKTOSKBKT-UHFFFAOYSA-N
• Exact Mass: 323.03096
• Molecular Formula: C18H14BrN
• Molecular Weight: 324.2
• SMILES: C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC(=CC=C3)Br
• Topological: 3.2
• Monoisotopic Mass: 323.03096
• Synonyms: 3-Bromo-N,N-diphenylaniline, 78600-33-6, DTXSID80584595, DTXCID80535360, 623-450-5, 3-Bromotriphenylamine, 3-Bromo Triphenylamine, 3-Bromo-N,N-diphenylaniline;Benzenamine, 3-bromo-N,N-diphenyl-, 3-bromo-N,N-diphenylBenzenamine, Benzenamine, 3-bromo-N,N-diphenyl-, MFCD06798123, 3-bromo-N,N-diphenyl-aniline, SCHEMBL4890429, YDXLVFKTOSKBKT-UHFFFAOYSA-N, 3-Bromo-N,N-diphenylaniline, 97%, N-(3-bromophenyl)-N,N-diphenylamine, AKOS025295759, CS-W013944, 3-BROMO-N N-DIPHENYLANILINE 97, AS-59118, DB-075496, B4036, C16378, 3-Bromo-N,N-diphenylaniline;Benzenamine, 3-romo-,-iphenyl-

Application

3-Bromo-N,N-diphenylaniline is widely used as a key intermediate in the synthesis of complex organic molecules, including ligands for catalytic systems and bioactive compounds. Its bromine moiety facilitates palladium-catalyzed cross-coupling reactions, making it indispensable in medicinal chemistry for drug discovery. Additionally, it serves as a precursor in the development of optoelectronic materials due to its conjugated aromatic structure.

Safety and Hazards

GHS Hazard Statements

• H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H413 (97.5%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (97.5%)
• Skin Irrit. 2 (100%)
• Skin Sens. 1 (97.5%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (97.5%)
• Aquatic Chronic 4 (97.5%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.