4-Bromo-1H-indole-7-carbonitrile

Name: 4-Bromo-1H-indole-7-carbonitrile
Brand: ChemScene
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CAS No. 1167055-46-0
Cat. No. CS-0042035
Purity≥97%
MDL No.MFCD11845629

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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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4-Bromo-1H-indole-7-carbonitrile|CS-0042035

Structure of 1167055-46-0

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General Information

CAS No. 1167055-46-0
Cat. No. CS-0042035
Purity ≥97%
MDL No. MFCD11845629
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₅BrN₂
Molecular Weight 221.05
Synonym(s) 4-Bromo-7-cyanoindole
SMILES N#CC1=CC=C(Br)C2=C1NC=C2

Description

4-Bromo-1H-indole-7-carbonitrile features a bromine substituent at the 4-position and a nitrile group at the 7-position of the indole core, enabling direct functionalization in cross-coupling and cyclization reactions. The electron-deficient indole scaffold enhances reactivity in palladium-catalyzed transformations. This bench-stable compound serves as a key intermediate for synthesizing biologically active heterocycles.

Application

4-Bromo-1H-indole-7-carbonitrile serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its compatible bromo and nitrile functionalities. The molecule exhibits good bench stability and facilitates efficient functionalization at the indole core, supporting the synthesis of substituted heterocycles and advanced API 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 39.58
LogP 2.80208
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Indole compounds

Key Words

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4-Bromo-1H-indole-7-carbonitrile

CAS No. 1167055-46-0

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