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