3-Bromo-5-fluorobenzonitrile

Name: 3-Bromo-5-fluorobenzonitrile
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CAS No. 179898-34-1
Cat. No. CS-D1719
Purity≥95%
MDL No.MFCD04038227

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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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Structure of 179898-34-1

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Description

3-Bromo-5-fluorobenzonitrile features a strategically positioned bromine and fluorine substituent on a benzonitrile scaffold, enabling precise functionalization in cross-coupling reactions. The electron-deficient aromatic ring enhances reactivity in palladium-catalyzed transformations, while the nitrile group offers a versatile handle for downstream derivatization. This bench-stable compound serves as a key building block in pharmaceutical and agrochemical synthesis.

Application

3-Bromo-5-fluorobenzonitrile serves as a versatile building block in medicinal chemistry and materials science, enabling palladium-catalyzed cross-coupling reactions due to its orthogonal halogen reactivity. The nitrile group provides a handle for downstream functionalization, while the meta-fluoro and bromo substituents offer predictable regioselectivity in electrophilic substitution and transition metal-mediated transformations. Bench-stable and amenable to purification by distillation or crystallization, it functions effectively in standard synthetic workflows requiring halogenated aromatic intermediates.

General Information

CAS No. 179898-34-1
Cat. No. CS-D1719
Purity ≥95%
MDL No. MFCD04038227
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₃BrFN
Molecular Weight 200.01
Synonym(s) 3-Cyano-5-fluoro-1-bromo-benzene; 3-Fluoro-5-bromobenzonitrile; Benzonitrile, 3-bromo-5-fluoro-
SMILES N#CC1=CC(F)=CC(Br)=C1

Computational Chemistry Data

TPSA 23.79
LogP 2.45988
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 0

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 3439
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H301+H311+H331-H315-H319
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P362+P364-P405-P501

Quality Control

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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-5-fluorobenzonitrile

CAS No. 179898-34-1

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