4-Chlorobenzo[4,5]thieno[3,2-d]pyrimidine

Name: 4-Chlorobenzo[4,5]thieno[3,2-d]pyrimidine
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 36822-09-0
Cat. No. CS-0197191
Molecule weight220.68
Purity≥97%
MDL No.None

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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-Chlorobenzo[4,5]thieno[3,2-d]pyrimidine|CS-0197191

Structure of 36822-09-0

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General Information

CAS No. 36822-09-0
Cat. No. CS-0197191
Purity ≥97%
MDL No. None
Storage -20°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₅ClN₂S
Molecular Weight 220.68
Synonym(s) None
SMILES C1=CC=C2C(=C1)C3=C(C(=NC=N3)Cl)S2

Description

4-Chlorobenzo[4,5]thieno[3,2-d]pyrimidine features a fused heterocyclic architecture combining thiophene and pyrimidine units, delivering enhanced electron-deficient character for use in advanced organic semiconductors. This rigid, planar scaffold enables strong intermolecular π-stacking and facilitates incorporation into functional materials requiring high charge mobility and thermal stability under standard processing conditions.

Application

4-Chlorobenzo[4,5]thieno[3,2-d]pyrimidine serves as a versatile heterocyclic building block for medicinal chemistry and materials science. Its fused tricyclic structure provides enhanced rigidity and electron-deficient character, enabling efficient cross-coupling reactions and facilitating incorporation into kinase inhibitors and organic semiconductors. The chlorine substituent offers a reliable handle for palladium-catalyzed functionalization, while the compound exhibits good bench stability and compatibility with standard purification methods.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 25.78
LogP 3.4979
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Other aromatic heterocycles compounds

Key Words

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4-Chlorobenzo[4,5]thieno[3,2-d]pyrimidine

CAS No. 36822-09-0

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