Lot numbers can be found on the outside label of a product:
3-Bromo-2-methylbenzaldehyde
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CAS No. 83647-40-9
- Cat. No. CS-0035195
- Purity≥95%
- MDL No.MFCD11847533
*For research and further manufacturing use only, not for direct human use.
Structure of 83647-40-9
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General Information
- CAS No. 83647-40-9
- Cat. No. CS-0035195
- Purity ≥95%
- MDL No. MFCD11847533
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₇BrO
- Molecular Weight 199.04
- Synonym(s) 3-BROMO-2-METHYL-BENZALDEHYDE
- SMILES O=CC1=CC=CC(Br)=C1C
Description
3-Bromo-2-methylbenzaldehyde features a bromine atom ortho to the aldehyde group and a methyl substituent at the adjacent position, creating a sterically hindered, electron-deficient aromatic ring. This configuration enhances reactivity in transition-metal-catalyzed couplings and enables direct functionalization at the aldehyde site under mild conditions. The compound exhibits bench-stable handling characteristics and integrates efficiently into complex molecular architectures.
Application
3-Bromo-2-methylbenzaldehyde serves as a versatile building block in synthetic organic chemistry, enabling direct functionalization at the ortho and meta positions relative to the aldehyde. Its compatibility with Suzuki, Stille, and Negishi cross-coupling reactions facilitates efficient construction of complex aryl scaffolds. The bromine and methyl groups provide orthogonal reactivity for sequential transformations, while the aldehyde functions as a key handle for imine formation, reductive amination, or heterocycle synthesis. Bench-stable and readily purified by recrystallization, it supports scalable synthesis in medicinal chemistry and materials development.
Synthesis
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Route1
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In-stock
83647-43-2 - ~70%
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In-stock
83647-40-9
References
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Bristol-Myers Squibb Company Patent: US2010/160303 A1, 2010 ; Location in patent: Page/Page column 36 ; US 20100160303 A1
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Route2
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631909-08-5 - ~94%
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In-stock
83647-40-9
References
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3-DIMENSIONAL PHARMACEUTICALS, INC. Patent: WO2003/99805 A1, 2003 ; Location in patent: Page 85 ;
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References
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Stoilov; Watt; Goodman; St. Pyrek Journal of Heterocyclic Chemistry, 1993 , vol. 30, # 6 p. 1645 - 1652
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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 17.07
- LogP 2.57002
- H_Acceptors 1
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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