2,2'-(1,4-Phenylene)diacetonitrile

Name: 2,2'-(1,4-Phenylene)diacetonitrile
Brand: ChemScene
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CAS No. 622-75-3
Cat. No. CS-W021467
Purity≥97%
MDL No.MFCD00001923

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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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2,2'-(1,4-Phenylene)diacetonitrile|CS-W021467

Structure of 622-75-3

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Description

2,2'-(1,4-Phenylene)diacetonitrile features a rigid para-substituted aromatic core flanked by nitrile groups, enabling its use as a bifunctional synthon in organic synthesis. The electron-deficient phenylene scaffold enhances reactivity in conjugate additions and cycloadditions. This bench-stable compound integrates readily into molecular architectures requiring polar, linear linkages.

Application

2,2'-(1,4-Phenylene)diacetonitrile serves as a versatile bifunctional building block in synthetic organic chemistry, enabling the construction of conjugated systems and heterocyclic scaffolds. Its dual nitrile groups facilitate efficient Michael additions, cyclizations, and metal-catalyzed couplings. The compound exhibits excellent bench stability and compatibility with diverse reaction conditions, simplifying purification and scalability in multi-step syntheses.

General Information

CAS No. 622-75-3
Cat. No. CS-W021467
Purity ≥97%
MDL No. MFCD00001923
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₈N₂
Molecular Weight 156.18
Synonym(s) α,α'-Dicyano-p-xylene
SMILES N#CCC1=CC=C(CC#N)C=C1

Computational Chemistry Data

TPSA 47.58
LogP 1.81876
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 2

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+H312+H332-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Material Science Covalent Organic Frameworks Nitrile COFs Linkers

Material Science Material Building Blocks Covalent Organic Frameworks (COFs) Linkers Linkers (Others)

Material Science Polymer/Macromolecule Reagents Covalent Organic Frameworks (COFs) Linkers Linkers (Others)

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2,2'-(1,4-Phenylene)diacetonitrile

CAS No. 622-75-3

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