6-Chloro-1,3-benzoxazole

Name: 6-Chloro-1,3-benzoxazole
Brand: ChemScene
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CAS No. 227197-72-0
Cat. No. CS-0060647
Purity≥95%
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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Structure of 227197-72-0

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General Information

CAS No. 227197-72-0
Cat. No. CS-0060647
Purity ≥95%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₄ClNO
Molecular Weight 153.57
Synonym(s) 6-CHLORO-BENZOXAZOLE
SMILES C1=CC2=C(C=C1Cl)OC=N2

Description

6-Chloro-1,3-benzoxazole is a bench-stable heterocyclic scaffold featuring a chlorine substituent at the 6-position, enhancing electrophilic reactivity. This electron-deficient aromatic system integrates readily into medicinal chemistry libraries and serves as a key building block for bioactive molecules. The fused oxazole ring imparts rigidity and metabolic stability, making it valuable in drug discovery and materials science applications.

Application

6-Chloro-1,3-benzoxazole serves as a versatile heterocyclic building block in medicinal chemistry and materials science. Its chlorine substituent enables palladium-catalyzed cross-coupling reactions, facilitating the construction of biaryl and extended π-conjugated systems. The benzoxazole core exhibits good thermal stability, moderate polarity, and compatibility with diverse functional groups, enabling straightforward purification and integration into complex molecular architectures.

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 26.03
LogP 2.4812
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Benzooxazole compounds

Key Words

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6-Chloro-1,3-benzoxazole

CAS No. 227197-72-0

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