3-Bromo-2-chlorobenzonitrile

Name: 3-Bromo-2-chlorobenzonitrile
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CAS No. 914250-82-1
Cat. No. CS-W019339
Purity≥97%
MDL No.MFCD09834776

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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 914250-82-1

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Description

3-Bromo-2-chlorobenzonitrile features a trifunctional aromatic core with bromo, chloro, and nitrile groups positioned for orthogonal reactivity. This electron-deficient scaffold enables selective coupling in cross-coupling protocols and serves as a key intermediate in pharmaceutical synthesis.

Application

3-Bromo-2-chlorobenzonitrile serves as a versatile building block in medicinal chemistry and materials science, enabling palladium-catalyzed cross-coupling reactions due to its complementary halogen reactivity. The nitrile group provides a handle for downstream functionalization, while the ortho-halogen substitution pattern facilitates selective transformations. Its bench-stable nature and compatibility with standard synthetic protocols make it well-suited for modular synthesis of complex heterocycles and bioactive scaffolds.

General Information

CAS No. 914250-82-1
Cat. No. CS-W019339
Purity ≥97%
MDL No. MFCD09834776
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₃BrClN
Molecular Weight 216.46
Synonym(s) 2-Chloro-3-bromobenzonitrile
SMILES N#CC1=CC=CC(Br)=C1Cl

Computational Chemistry Data

TPSA 23.79
LogP 2.97418
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 0

Safety Information

Download SDS

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

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-2-chlorobenzonitrile

CAS No. 914250-82-1

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