Lot numbers can be found on the outside label of a product:
3-Bromo-4-chlorobenzoic acid
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CAS No. 42860-10-6
- Cat. No. CS-W019483
- Purity≥97%
- MDL No.MFCD00079706
*For research and further manufacturing use only, not for direct human use.
Structure of 42860-10-6
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General Information
- CAS No. 42860-10-6
- Cat. No. CS-W019483
- Purity ≥97%
- MDL No. MFCD00079706
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₄BrClO₂
- Molecular Weight 235.46
- Synonym(s) Dapagliflozin Impurity 50
- SMILES BrC1=C(C=CC(=C1)C(=O)O)Cl
Description
3-Bromo-4-chlorobenzoic acid features a benzene ring bearing bromo and chloro substituents at adjacent positions, with a carboxylic acid group at the para position relative to the bromo. This electron-deficient aromatic core enables direct incorporation into cross-coupling reactions and serves as a key intermediate in synthesizing bioactive compounds and functionalized materials under standard conditions.
Application
3-Bromo-4-chlorobenzoic acid serves as a versatile building block for the synthesis of pharmaceutical intermediates and functionalized heterocycles. Its dual halogenation pattern enables palladium-catalyzed cross-coupling reactions with high regioselectivity, while the carboxylic acid group facilitates derivatization via esterification, amidation, or direct coupling. The compound exhibits excellent bench stability and is compatible with standard purification methods, making it well-suited for scalable medicinal chemistry campaigns and API development workflows.
Synthesis
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Route1
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In-stock
2840-28-0 - ~30%
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In-stock
42860-10-6
References
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Gabbutt, Christopher D.; Heron, B. Mark; Instone, Alicia C.; Horton, Peter N.; Hursthouse, Michael B. Tetrahedron, 2005 , vol. 61, # 2 p. 463 - 471
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Route2
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74-11-3 - ~%
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In-stock
42860-10-6
References
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I.G. Farbenind. Patent: FR835727 , 1938 ;
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Route3
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In-stock
694-80-4 - ~%
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In-stock
42860-10-6
References
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Diep,B.K. et al. Journal of the Chemical Society, 1963 , p. 2784 - 2787
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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-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 37.3
- LogP 2.8007
- H_Acceptors 1
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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