6-Bromo-2,3-difluorobenzonitrile

Name: 6-Bromo-2,3-difluorobenzonitrile
Brand: ChemScene
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CAS No. 1207875-87-3
Cat. No. CS-0147040
Purity≥97%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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6-Bromo-2,3-difluorobenzonitrile|CS-0147040

Structure of 1207875-87-3

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General Information

CAS No. 1207875-87-3
Cat. No. CS-0147040
Purity ≥97%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₂BrF₂N
Molecular Weight 218.00
Synonym(s) 2-bromo-5,6-difluorobenzonitrile
SMILES N#CC1=C(Br)C=CC(F)=C1F

Description

6-Bromo-2,3-difluorobenzonitrile features a trifunctional aromatic core with bromine, two fluorine atoms, and a nitrile group positioned for selective cross-coupling and derivatization. The electron-deficient ring enhances reactivity in palladium-catalyzed processes, while the bench-stable structure supports reliable use in synthetic sequences requiring precise functional group placement.

Application

6-Bromo-2,3-difluorobenzonitrile serves as a versatile building block in medicinal chemistry and materials science, enabling direct incorporation of bromine and nitrile functionalities into complex architectures. Its ortho-fluoro substitution enhances electrophilic reactivity while maintaining bench stability. The molecule facilitates palladium-catalyzed cross-coupling reactions and functions effectively in the synthesis of fluorinated heterocycles and pharmaceutical intermediates.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
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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Computational Chemistry Data

TPSA 23.79
LogP 2.59898
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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6-Bromo-2,3-difluorobenzonitrile

CAS No. 1207875-87-3

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