Lot numbers can be found on the outside label of a product:
Methyl 2-bromo-5-nitrobenzoate
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CAS No. 6942-36-5
- Cat. No. CS-W012516
- Purity≥98%
- MDL No.MFCD00010867
*For research and further manufacturing use only, not for direct human use.
Structure of 6942-36-5
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General Information
- CAS No. 6942-36-5
- Cat. No. CS-W012516
- Purity ≥98%
- MDL No. MFCD00010867
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₆BrNO₄
- Molecular Weight 260.04
- Synonym(s) 2-Bromo-5-nitrobenzoic Acid Methyl Ester
- SMILES COC(C1=C(Br)C=CC([N+]([O-])=O)=C1)=O
Description
Methyl 2-bromo-5-nitrobenzoate is a bench-stable, electron-deficient aromatic ester featuring orthogonal reactivity at the bromo and nitro positions. This compound integrates seamlessly into cross-coupling and nucleophilic substitution workflows, enabling efficient access to functionalized heterocycles and pharmaceutical intermediates under standard conditions.
Application
Methyl 2-bromo-5-nitrobenzoate serves as a versatile building block in synthetic organic chemistry, enabling regioselective functionalization via palladium-catalyzed cross-coupling reactions. The bromo group facilitates Suzuki, Stille, and Negishi couplings, while the nitro and ester functionalities provide orthogonal reactivity for downstream transformations. Its bench-stable crystalline form simplifies handling and purification, making it well-suited for iterative synthesis of complex heterocycles and pharmaceutical intermediates.
Synthesis
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Route1
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67-56-1 -
In-stock
943-14-6 - ~96%
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In-stock
6942-36-5
References
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Kawabata, Takeo; Jiang, Changsheng; Hayashi, Kazuhiro; Tsubaki, Kazunori; Yoshimura, Tomoyuki; et al. Journal of the American Chemical Society, 2009 , vol. 131, p. 54 - 55
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Route2
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In-stock
610-94-6 - ~%
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In-stock
6942-36-5
References
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US6894174 B1, ; Page/Page column 15 ;
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Route3
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18107-18-1
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In-stock
943-14-6
- ~97%
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In-stock
6942-36-5
References
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Dydio, Pawel; Reek, Joost N. H. Angewandte Chemie - International Edition, 2013 , vol. 52, # 14 p. 3878 - 3882 Angew. Chem., 2013 , vol. 125, # 14 p. 4132
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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 : H315-H319-H335
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Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 69.44
- LogP 2.1439
- H_Acceptors 4
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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