Lot numbers can be found on the outside label of a product:
3-Bromo-5-(trifluoromethyl)benzaldehyde
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CAS No. 477535-41-4
- Cat. No. CS-W010196
- Purity≥95%
- MDL No.MFCD08059506
*For research and further manufacturing use only, not for direct human use.
Structure of 477535-41-4
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General Information
- CAS No. 477535-41-4
- Cat. No. CS-W010196
- Purity ≥95%
- MDL No. MFCD08059506
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₄BrF₃O
- Molecular Weight 253.02
- Synonym(s) 3-Bromo-5-trifluoromethylbenzaldehyde
- SMILES O=CC1=CC(C(F)(F)F)=CC(Br)=C1
Description
3-Bromo-5-(trifluoromethyl)benzaldehyde features a bromine atom and a trifluoromethyl group positioned meta to each other on the benzene ring, flanking an aldehyde functional group. This electronic configuration enhances reactivity in cross-coupling processes while maintaining stability under standard conditions. The molecule serves as a key building block for pharmaceutical intermediates and advanced materials.
Application
3-Bromo-5-(trifluoromethyl)benzaldehyde serves as a versatile building block in medicinal chemistry and materials science, enabling direct incorporation of bromo- and trifluoromethyl-functionalized aryl motifs. Its aldehyde group facilitates nucleophilic additions and condensation reactions, while the ortho-bromo substituent supports palladium-catalyzed cross-coupling transformations. The compound exhibits good bench stability and is compatible with standard purification methods, making it well-suited for iterative synthesis workflows involving Suzuki-Miyaura, Stille, or Buchwald-Hartwig couplings.
Synthesis
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Route1
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In-stock
172023-97-1 - ~%
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In-stock
477535-41-4
References
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WO2005/100298 A1, ; Page/Page column 65 ;
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Route2
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880652-44-8 - ~%
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In-stock
477535-41-4
References
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WO2013/124286 A1, ; Page/Page column 99; 100 ;
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Route3
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In-stock
626-41-5 -
68-12-2 - ~%
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In-stock
477535-41-4
References
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WO2009/140769 A1, ; Page/Page column 73 ; WO 2009/140769 A1
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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 3.2804
- H_Acceptors 1
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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