2-(Benzo[d]oxazol-2-yl)acetonitrile

Name: 2-(Benzo[d]oxazol-2-yl)acetonitrile
Brand: ChemScene
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CAS No. 15344-56-6
Cat. No. CS-0155908
Purity≥98%
MDL No.MFCD00160031

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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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2-(Benzo[d]oxazol-2-yl)acetonitrile|CS-0155908

Structure of 15344-56-6

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Description

2-(Benzo[d]oxazol-2-yl)acetonitrile features a rigid benzoxazole scaffold paired with a reactive nitrile group, enabling direct incorporation into heterocyclic architectures. This electron-deficient acetonitrile moiety facilitates efficient coupling reactions and serves as a key building block in medicinal chemistry and materials science applications.

Application

2-(Benzo[d]oxazol-2-yl)acetonitrile serves as a versatile building block for heterocyclic synthesis, enabling efficient access to benzoxazole derivatives via cyclization or functionalization. The nitrile group provides a robust handle for transformation, including hydrolysis to carboxylic acids or reduction to primary amines, while the benzo[d]oxazole core offers enhanced stability and π-conjugation. Its bench-stable nature and compatibility with standard coupling reactions facilitate straightforward purification and integration into medicinal chemistry workflows.

General Information

CAS No. 15344-56-6
Cat. No. CS-0155908
Purity ≥98%
MDL No. MFCD00160031
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₆N₂O
Molecular Weight 158.16
Synonym(s) 1,3-Benzoxazol-2-ylacetonitrile
SMILES C1=CC=C2C(=C1)N=C(CC#N)O2

Computational Chemistry Data

TPSA 49.82
LogP 1.89388
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

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 : P233-P260-P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P340-P362-P403-P405-P501

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Benzooxazole compounds

Key Words

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2-(Benzo[d]oxazol-2-yl)acetonitrile

CAS No. 15344-56-6

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