2-Chloroadenosine Hemihydrate(CAS: 81012-94-4)

CAS Number
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Basic Information
Molecular Formula
C20H26Cl2N10O9
Molecular Weight
621.4 g/mol
Physical Properties
Melting Point
160 °C (dec.) (lit.)
Chemical Identifiers
SMILES
C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)CO)O)O)Cl)N.C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)CO)O)O)Cl)N.O
InChIKey
WRURCFOLSGPTMO-IZGCVNAISA-N
Database References
MDL Number
MFCD28134629
FAQ
2-Chloroadenosine Hemihydrate has a crystalline form with a molecular weight of approximately 387.02 g/mol. It is slightly soluble in water, with a solubility of about 1.2 g/L at 25°C. Chemically, it is moderately reactive, particularly with nucleophiles and reducing agents. It decomposes above 150°C.
2-Chloroadenosine Hemihydrate is typically synthesized by the chlorination of adenine in the presence of a base. This reaction is catalyzed by Lewis acids, and the product is then crystallized from an aqueous solution. The yield is around 75-80%, and the selectivity for the hemihydrate form is high.
2-Chloroadenosine Hemihydrate is primarily used in the pharmaceutical industry for its potential as a research tool in studying adenosine receptor pharmacology. It is also used in some analytical and biosensor applications due to its unique chemical properties.
When handling 2-Chloroadenosine Hemihydrate, use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a fume hood to minimize exposure. Spills should be cleaned up using absorbent materials, and the area should be washed with water. Always consult the Safety Data Sheet (SDS) for detailed handling and emergency procedures.
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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