Lot numbers can be found on the outside label of a product:
5-Bromo-4-fluoro-2-hydroxybenzaldehyde
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CAS No. 399-00-8
- Cat. No. CS-0042065
- Purity≥97%
- MDL No.MFCD06739493
*For research and further manufacturing use only, not for direct human use.
Structure of 399-00-8
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General Information
- CAS No. 399-00-8
- Cat. No. CS-0042065
- Purity ≥97%
- MDL No. MFCD06739493
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₄BrFO₂
- Molecular Weight 219.01
- Synonym(s) 5-Bromo-4-fluorosalicylaldehyde
- SMILES O=CC1=CC(Br)=C(F)C=C1O
Description
5-Bromo-4-fluoro-2-hydroxybenzaldehyde features a trifunctional aromatic core with bromo, fluoro, and hydroxyl groups positioned for orthogonal reactivity. This electron-deficient scaffold enables direct coupling in cross-coupling reactions and serves as a key intermediate in pharmaceutical synthesis. The aldehyde functionality supports derivatization under mild conditions.
Application
5-Bromo-4-fluoro-2-hydroxybenzaldehyde serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted heterocycles and bioactive scaffolds. Its orthogonal functional groups—bromide, fluoride, hydroxyl, and aldehyde—support diverse downstream transformations including Suzuki-Miyaura coupling, electrophilic substitution, and condensation reactions. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for medicinal chemistry campaigns and process development workflows.
Synthesis
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Route1
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In-stock
348-28-7 - ~99%
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In-stock
399-00-8
References
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ARRAY BIOPHARMA INC.; HUNT, Kevin W.; TANG, Tony P.; THOMAS, Allen A. Patent: WO2012/40641 A2, 2012 ; Location in patent: Page/Page column 135; 136 ; WO 2012/040641 A2
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Route2
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In-stock
372-20-3 - ~%
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In-stock
399-00-8
References
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Thomas, Allen A.; Hunt, Kevin W.; Volgraf, Matthew; Watts, Ryan J.; Liu, Xingrong; Vigers, Guy; Smith, Darin; Sammond, Douglas; Tang, Tony P.; Rhodes, Susan P.; Metcalf, Andrew T.; Brown, Karin D.; Otten, Jennifer N.; Burkard, Michael; Cox, April A.; Do, Mary K. Geck; Dutcher, Darrin; Rana, Sumeet; Delisle, Robert K.; Regal, Kelly; Wright, Albion D.; Groneberg, Robert; Scearce-Levie, Kimberly; Siu, Michael; Purkey, Hans E.; Lyssikatos, Joseph P.; Gunawardana, Indrani W. Journal of Medicinal Chemistry, 2014 , vol. 57, # 3 p. 878 - 902
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Route3
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67-66-3 -
In-stock
372-20-3
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7726-95-6
- ~%
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In-stock
399-00-8
References
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Hodgson; Jenkinson Journal of the Chemical Society, 1928 , p. 2276 Full Text Show Details Hodgson; Nixon Journal of the Chemical Society, 1929 , p. 1639
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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 37.3
- LogP 2.1063
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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