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Atomfair 3-Bromo-N,N-diphenylaniline C18H14BrN CAS 78600-33-6

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).

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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%)

If you are interested or have any questions, please contact us at support@atomfair.com

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

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

Patent & Regulatory Compliance

Certain molecules may be protected by active patents or regulatory restrictions.

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

Liability Release

By purchasing, the buyer agrees to:

  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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