Lot numbers can be found on the outside label of a product:
2-Bromo-4,5-difluorobenzonitrile
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CAS No. 64695-82-5
- Cat. No. CS-W003671
- Purity≥98%
- MDL No.MFCD09864661
*For research and further manufacturing use only, not for direct human use.
Structure of 64695-82-5
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General Information
- CAS No. 64695-82-5
- Cat. No. CS-W003671
- Purity ≥98%
- MDL No. MFCD09864661
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₂BrF₂N
- Molecular Weight 218.00
- Synonym(s) 2-Brom-4,5-difluorbenzonitril
- SMILES BrC1=CC(F)=C(F)C=C1C#N
Description
2-Bromo-4,5-difluorobenzonitrile features a trifunctional aromatic core with bromine, two fluorine atoms, and a nitrile group positioned for selective cross-coupling reactions. The electron-deficient ring enhances reactivity in palladium-catalyzed transformations, while the nitrile moiety provides a handle for downstream functionalization. This compound offers high stability under standard bench conditions and serves as a key intermediate in the synthesis of bioactive heterocycles and advanced pharmaceutical scaffolds.
Application
2-Bromo-4,5-difluorobenzonitrile serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling palladium-catalyzed cross-coupling reactions due to its compatible halogen and nitrile functionalities. The ortho-bromo group facilitates Suzuki, Stille, and Negishi couplings, while the electron-withdrawing nitrile enhances reactivity in nucleophilic aromatic substitution. Bench-stable and readily purified, it functions effectively in multi-step syntheses of fluorinated heterocycles and bioactive scaffolds.
Synthesis
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Route1
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367-11-3 - ~%
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In-stock
64695-82-5
References
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Collection of Czechoslovak Chemical Communications, , vol. 42, # 6 p. 2001 - 2017
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Route2
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348-61-8
- ~%
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In-stock
64695-82-5
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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In-stock
321-17-5 - ~%
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In-stock
64695-82-5
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 23.79
- LogP 2.59898
- H_Acceptors 1
- H_Donors 0
- Rotatable_Bonds 0
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Key Words
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