Lot numbers can be found on the outside label of a product:
2-Bromo-4-methyl-1-nitrobenzene
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CAS No. 40385-54-4
- Cat. No. CS-0099379
- Purity≥98%
- MDL No.MFCD00234267
*For research and further manufacturing use only, not for direct human use.
Structure of 40385-54-4
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General Information
- CAS No. 40385-54-4
- Cat. No. CS-0099379
- Purity ≥98%
- MDL No. MFCD00234267
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₆BrNO₂
- Molecular Weight 216.03
- Synonym(s) 2-BroMo-4-Methyl-1-nitro-benzene
- SMILES O=[N+]([O-])C1=CC=C(C=C1Br)C
Description
2-Bromo-4-methyl-1-nitrobenzene features a nitro group at the para position relative to bromine, creating a strongly electron-deficient aromatic system ideal for palladium-catalyzed cross-coupling reactions. The methyl substituent enhances solubility and provides steric control during functionalization. This compound serves as a key intermediate in the synthesis of advanced pharmaceuticals and functional materials.
Application
2-Bromo-4-methyl-1-nitrobenzene serves as a versatile building block in cross-coupling and nucleophilic substitution reactions, enabling efficient construction of substituted biaryls and heterocycles. The bromo group facilitates Pd-catalyzed coupling with broad functional group tolerance, while the nitro and methyl substituents provide orthogonal reactivity for sequential transformations. Bench-stable and readily purified by column chromatography, it functions reliably in synthetic workflows targeting pharmaceutical intermediates and agrochemical scaffolds.
Synthesis
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Route1
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In-stock
583-68-6 - ~84%
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In-stock
40385-54-4
References
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Pirrung, Michael C.; Liu, Yufa; Deng, Liu; Halstead, Diana K.; Li, Zhitao; May, John F.; Wedel, Michael; Austin, Darrell A.; Webster, Nicholas J. G. Journal of the American Chemical Society, 2005 , vol. 127, # 13 p. 4609 - 4624
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Route2
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67614-05-5 - ~2%
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In-stock
7745-93-9 -
In-stock
40385-54-4
References
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Ivanova; Grabovskii; Kabal'nova; Shereshovets Russian Journal of Applied Chemistry, 2000 , vol. 73, # 12 p. 2101 - 2105
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Route3
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591-17-3
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In-stock
52414-98-9 -
In-stock
40385-54-4
References
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Bourgeois; Henrion Bulletin de la Societe Chimique de France, 1932 , vol. <4> 51, p. 1416,1421
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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
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Precautionary Statements : P264-P270-P330-P501
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Quality Control
Computational Chemistry Data
- TPSA 43.14
- LogP 2.66572
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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