Lot numbers can be found on the outside label of a product:
1-Bromo-2-methoxy-3-nitrobenzene
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CAS No. 98775-19-0
- Cat. No. CS-W021307
- Purity≥98%
- MDL No.MFCD09261208
*For research and further manufacturing use only, not for direct human use.
Structure of 98775-19-0
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General Information
- CAS No. 98775-19-0
- Cat. No. CS-W021307
- Purity ≥98%
- MDL No. MFCD09261208
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₆BrNO₃
- Molecular Weight 232.03
- Synonym(s) 2-Bromo-6-nitrophenyl methyl ether
- SMILES O=[N+](C1=C(OC)C(Br)=CC=C1)[O-]
Description
1-Bromo-2-methoxy-3-nitrobenzene features a nitro group flanked by bromo and methoxy substituents, enabling sequential functionalization in cross-coupling and nucleophilic substitution reactions. This electron-deficient aromatic scaffold offers enhanced reactivity under standard conditions, with the methoxy moiety providing steric and electronic stabilization.
Application
1-Bromo-2-methoxy-3-nitrobenzene serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling palladium-catalyzed cross-coupling reactions due to its well-defined regiochemistry. The bromo group facilitates efficient C–C bond formation, while the methoxy and nitro substituents provide orthogonal reactivity and electronic modulation. Its bench-stable nature and compatibility with standard purification methods make it suitable for scalable synthetic workflows.
Synthesis
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Route1
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In-stock
13073-25-1 -
74-88-4 - ~96%
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In-stock
98775-19-0
References
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BRISTOL-MYERS SQUIBB COMPANY; MOSLIN, Ryan M.; WEINSTEIN, David S.; WROBLESKI, Stephen T.; TOKARSKI, John S.; KUMAR, Amit Patent: WO2014/74661 A1, 2014 ; Location in patent: Paragraph 00172 ;
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Route2
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In-stock
3970-37-4 -
124-41-4
- ~57%
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In-stock
98775-19-0
References
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GLAXO GROUP LIMITED; CHAMBERS, Laura Jane; DEAN, David Kenneth; MUNOZ-MURIEDAS, Jorge; STEADMAN, Jon Graham Anthony; WALTER, Daryl Simon Patent: WO2010/125103 A1, 2010 ; Location in patent: Page/Page column 78-79 ; WO 2010/125103 A1
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Route3
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In-stock
27684-84-0 -
74-88-4
- ~73%
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In-stock
98775-19-0
References
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Erickson-Miller, Connie J; Eppley, Daniel F.; Jenkins, Julian; Luengo, Juan I.; Liu, Nannan; Price, Alan T.; Shaw, Anthony N.; Visonneau, Sophie; Wiggall, Kenneth Patent: US2004/19190 A1, 2004 ; Location in patent: Page 18 ;
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 52.37
- LogP 2.3659
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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