3-Bromo-2-fluorobenzonitrile

Name: 3-Bromo-2-fluorobenzonitrile
Brand: ChemScene
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CAS No. 840481-82-5
Cat. No. CS-W004852
Purity≥98%
MDL No.MFCD06657980

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

CAS No. 840481-82-5
Cat. No. CS-W004852
Purity ≥98%
MDL No. MFCD06657980
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₃BrFN
Molecular Weight 200.01
Synonym(s) KaiXinTianRui Technology Development Co., Ltd
SMILES N#CC1=CC=CC(Br)=C1F

Description

3-Bromo-2-fluorobenzonitrile features a strategically positioned bromine and fluorine substituent on a benzene ring, enabling selective cross-coupling reactions. The nitrile group provides a polar handle for downstream functionalization, while the halogen atoms facilitate palladium-catalyzed transformations under standard conditions. This compound serves as a key intermediate in pharmaceutical synthesis.

Application

3-Bromo-2-fluorobenzonitrile serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling palladium-catalyzed cross-coupling reactions due to its well-established reactivity profile. The ortho-fluoro and bromo substituents provide complementary handles for sequential functionalization, while the nitrile group offers stability and utility in downstream transformations. Its bench-stable nature and compatibility with standard reaction conditions facilitate efficient access to complex heterocyclic scaffolds and substituted biaryls.

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 3439
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

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Computational Chemistry Data

TPSA 23.79
LogP 2.45988
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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3-Bromo-2-fluorobenzonitrile

CAS No. 840481-82-5

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