Lot numbers can be found on the outside label of a product:
2-Bromo-4,5-difluoroaniline
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CAS No. 64695-79-0
- Cat. No. CS-W005719
- Purity≥98%
- MDL No.MFCD04112491
*For research and further manufacturing use only, not for direct human use.
Structure of 64695-79-0
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General Information
- CAS No. 64695-79-0
- Cat. No. CS-W005719
- Purity ≥98%
- MDL No. MFCD04112491
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₄BrF₂N
- Molecular Weight 208.00
- Synonym(s) 2-Bromo-4,5-difluorobenzenamine
- SMILES NC1=CC(F)=C(F)C=C1Br
Description
2-Bromo-4,5-difluoroaniline features a highly electron-deficient aromatic ring flanked by bromo and difluoro substituents, enabling selective coupling reactions in medicinal chemistry. This bench-stable intermediate integrates readily into complex scaffolds, offering enhanced metabolic stability and tailored electronic properties for pharmaceutical development.
Application
2-Bromo-4,5-difluoroaniline serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient construction of fluorinated aromatic scaffolds. Its ortho-bromo and meta-difluoro substituents provide excellent functional group tolerance for palladium-catalyzed cross-coupling reactions, including Suzuki and Buchwald-Hartwig amination. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis workflows and scale-up applications.
Synthesis
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Route1
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3863-11-4 - ~83%
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In-stock
64695-79-0
References
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Ishikawa; Uno; Miyamoto; Ueda; Tamaoka; Tominaga; Nakagawa Chemical and Pharmaceutical Bulletin, 1990 , vol. 38, # 9 p. 2459 - 2462
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Route2
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In-stock
321-17-5 - ~%
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In-stock
64695-79-0
References
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Collection of Czechoslovak Chemical Communications, , vol. 42, # 6 p. 2001 - 2017
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Route3
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367-11-3 - ~%
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In-stock
64695-79-0
References
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Collection of Czechoslovak Chemical Communications, , vol. 42, # 6 p. 2001 - 2017
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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 26.02
- LogP 2.3095
- H_Acceptors 1
- H_Donors 1
- Rotatable_Bonds 0
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