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7-(2-Chloroethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione(CAS: 5878-61-5)

7-(2-Chloroethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS Number

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Basic Information

Molecular Formula
C9H11ClN4O2
Molecular Weight
242.67 g/mol

Physical Properties

Melting Point
123.0 to 127.0 deg-C
Boiling Point
459.8°C at 760 mmHg
Flash Point
231.9°C

Chemical Identifiers

SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCl
InChIKey
QCIARNIKNKKHFH-UHFFFAOYSA-N

Database References

MDL Number
MFCD00005760
Beilstein Registry Number
0251755

FAQ

7-(2-Chloroethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione has a crystalline form and a molecular weight of approximately 291.03 g/mol. It is slightly soluble in water and ethanol. The compound is relatively stable but may react with strong acids or bases. It shows limited reactivity under normal conditions.
7-(2-Chloroethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is typically synthesized through a multi-step process involving the synthesis of 2-chloroethylamine, followed by its reaction with 1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. The synthesis involves the use of appropriate solvents and catalysts to achieve high yields and selectivity.
7-(2-Chloroethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is used in the pharmaceutical industry for the synthesis of certain purine derivatives used in drug development. It is also employed in the chemical industry for the production of various organic compounds and may have applications in polymers and other materials.
When handling 7-(2-Chloroethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, it is important to use proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or fume hood to minimize exposure. Store the compound in a dry, cool place away from direct sunlight. In case of spills, follow the safety data sheet (SDS) guidelines for proper 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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