5-Bromoanthranilonitrile

Name: 5-Bromoanthranilonitrile
Brand: ChemScene
Availability: InStock
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CAS No. 39263-32-6
Cat. No. CS-W015683
Purity≥95%
MDL No.MFCD00158946

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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+

An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

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Structure of 39263-32-6

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Description

5-Bromoanthranilonitrile features a brominated anthranilic acid scaffold with a nitrile group at the para position, enabling direct incorporation into heterocyclic systems. This electron-deficient aryl halide facilitates palladium-catalyzed cross-coupling reactions under standard conditions, offering efficient access to complex aromatic scaffolds in medicinal chemistry and materials synthesis.

Application

5-Bromoanthranilonitrile serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted quinazolines and other nitrogen-containing scaffolds via cyclization reactions. Its bromine and nitrile functionalities offer orthogonal reactivity for palladium-catalyzed cross-coupling and nucleophilic transformations, respectively. Bench-stable and readily purified by recrystallization, it facilitates scalable synthesis in medicinal chemistry and process development workflows.

General Information

CAS No. 39263-32-6
Cat. No. CS-W015683
Purity ≥95%
MDL No. MFCD00158946
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅BrN₂
Molecular Weight 197.03
Synonym(s) None
SMILES BrC1=CC=C(N)C(C#N)=C1

Computational Chemistry Data

TPSA 49.81
LogP 1.90298
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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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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5-Bromoanthranilonitrile

CAS No. 39263-32-6

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