Lot numbers can be found on the outside label of a product:
2-Bromoisophthalaldehyde
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CAS No. 79839-49-9
- Cat. No. CS-W014987
- Purity≥97%
- MDL No.MFCD08461034
*For research and further manufacturing use only, not for direct human use.
Structure of 79839-49-9
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General Information
- CAS No. 79839-49-9
- Cat. No. CS-W014987
- Purity ≥97%
- MDL No. MFCD08461034
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₅BrO₂
- Molecular Weight 213.03
- Synonym(s) 2-Bromoisophthaldehyde
- SMILES O=CC1=CC=CC(C=O)=C1Br
Description
2-Bromoisophthalaldehyde features a brominated aromatic ring flanked by two aldehyde groups, delivering high reactivity for coupling and functionalization. This ortho-dialdehyde scaffold enables selective transformations in synthetic routes to complex heterocycles and bioactive molecules under standard conditions.
Application
2-Bromoisophthalaldehyde serves as a versatile building block in synthetic organic chemistry, enabling the construction of heterocyclic scaffolds and functionalized aromatic systems. Its ortho-dialdehyde functionality, combined with a bromine substituent, facilitates selective transformations such as cyclizations, cross-couplings, and nucleophilic additions. The compound exhibits good bench stability and is compatible with standard purification techniques, making it well-suited for iterative synthesis workflows in medicinal chemistry and materials development.
Synthesis
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Route1
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59346-22-4 - ~95%
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In-stock
79839-49-9
References
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ANACOR PHARMACEUTICALS, INC.; ZHOU, Huchen; DING, Dazhong; ZHOU, Yasheen; ZHANG, Yong-Kang; PLATTNER, Jacob J. Patent: WO2011/22337 A1, 2011 ; Location in patent: Page/Page column 67 ;
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Route2
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905978-05-4 - ~63%
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In-stock
79839-49-9
References
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Kaess, Steffen; Gregor, Thomas; Kersting, Berthold Angewandte Chemie - International Edition, 2006 , vol. 45, # 1 p. 101 - 104
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Route3
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In-stock
576-22-7 - ~75%
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In-stock
79839-49-9
References
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Sun, Liang; Veith, Jean M.; Pera, Paula; Bernacki, Ralph J.; Ojima, Iwao Bioorganic and Medicinal Chemistry, 2010 , vol. 18, # 19 p. 7101 - 7112
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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-P301+P310-P330-P501
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Quality Control
Computational Chemistry Data
- TPSA 34.14
- LogP 2.0741
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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