4-bromoaniline cas 106-40-1

Chemical Name:4-Bromoaniline
CAS No.:106-40-1
Molecular Formula: C6H6BrN
Molecular Weight:172.02
Appearance: White crystal or crystalline powder

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4-Bromoaniline (CAS 106-40-1): Technical Guide, Applications, and Case Studies

1. Product Overview & Specifications

Parameter 4-Bromoaniline 4-Chloroaniline 4-Iodoaniline
CAS Number 106-40-1 106-47-8 540-37-4
Molecular Formula C6H6BrN C6H6ClN C6H6IN
Molecular Weight 172.03 g/mol 127.57 g/mol 219.03 g/mol
Appearance Off-white crystalline White powder Tan crystals
Purity ≥99% (HPLC) ≥98% ≥97%

Key Advantages: Higher thermal stability vs. chloro derivatives, optimal reactivity for coupling reactions, and reduced toxicity compared to iodo analogs.

2. Key Applications

Pharmaceutical Intermediates

Critical precursor for:

  • Anticancer drug candidates (e.g., kinase inhibitors)
  • Antidepressant synthesis
  • Non-steroidal anti-inflammatory agents

Agrochemical Production

  • Herbicide metabolites
  • Fungicidal additives
  • Plant growth regulator intermediates

Material Science

  • Liquid crystal precursors
  • Conductive polymer dopants
  • OLED material synthesis

3. Usage Guidelines

Handling Protocols

  • Store at 2-8°C in amber glass under nitrogen
  • Use PPE: neoprene gloves, chemical goggles
  • Incompatible with strong oxidizers

Synthetic Procedures

Buchwald-Hartwig Amination Example:
1. Mix 4-bromoaniline (1 eq) with aryl halide (1.2 eq)
2. Add Pd(OAc)2 (5 mol%), XPhos (10 mol%)
3. React in dioxane at 100°C for 12h
4. Isolate via column chromatography (Hex:EA = 3:1)

4. Industry Case Studies

Case 1: PharmaGen Solutions

Challenge: Scale-up of tyrosine kinase inhibitor intermediate
Solution: Optimized Ullmann coupling using 4-bromoaniline
Result: 92% yield at 500kg batch scale

Case 2: AgroShield Ltd

Challenge: Develop persistent fungicidal metabolite
Solution: Directed bromination pattern using 4-bromoaniline derivatives
Result: 68% improved field persistence vs. chlorinated analogs

5. Request Custom Solutions

Contact our technical team for:

  • Bulk pricing (100kg+ orders)
  • Custom synthesis (purity 99.5%+ available)
  • Regulatory support (REACH, TSCA compliant)

Email: info@vivalr.com
Tel: (86) 15866781826

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