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4-[(4,6-Dichloro-2-pyrimidinyl)amino]benzonitrile(CAS: 329187-59-9)

4-[(4,6-Dichloro-2-pyrimidinyl)amino]benzonitrile
CAS Number

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Basic Information

Molecular Formula
C11H6Cl2N4
Molecular Weight
17.03 g/mol

Physical Properties

Melting Point
238-242°C
Boiling Point
468.9±55.0°C at 760 mmHg
Flash Point
237.36°C

Chemical Identifiers

SMILES
C1=CC(=CC=C1C#N)NC2=NC(=CC(=N2)Cl)Cl
InChIKey
MPEUVAXCNNGXQX-UHFFFAOYSA-N

Database References

MDL Number
MFCD11865110

FAQ

4-[(4,6-Dichloro-2-pyrimidinyl)amino]benzonitrile is a crystalline solid with a molecular weight of approximately 310.03 g/mol. It has a low water solubility and is moderately soluble in organic solvents like dimethylformamide and acetonitrile. The compound is reactive towards nucleophilic substitution and is known for its stability under acidic and basic conditions.
4-[(4,6-Dichloro-2-pyrimidinyl)amino]benzonitrile is typically synthesized via a multistep process involving the reaction of 4-chloro-6-aminopyrimidine with benzonitrile in the presence of a suitable catalyst. The yield is around 70-80%, with the use of a palladium catalyst providing good selectivity.
4-[(4,6-Dichloro-2-pyrimidinyl)amino]benzonitrile is used in the pharmaceutical industry for the development of antiviral and anticancer drugs. It also finds applications in the polymer industry for enhancing properties of polymers and in the semiconductor industry as a dopant material.
When handling 4-[(4,6-Dichloro-2-pyrimidinyl)amino]benzonitrile, use appropriate personal protective equipment (PPE) such as gloves, safety glasses, and a lab coat. Work in a well-ventilated area or a fume hood to avoid inhalation. Spills should be handled with caution, and the material should be disposed of in accordance with local regulations. Refer to the safety data sheet (SDS) for detailed information on handling and disposal.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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