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1839-18-5

1839-18-5 Structure

1839-18-5 Structure
IdentificationMore
[Name]

2-Chloroadenine
[CAS]

1839-18-5
[Synonyms]

2-CHLORO-6-AMINOPURINE
2-CHLORO-9H-PURIN-6-AMINE
2-CHLOROADENINE
6-Amino-2-chloro-7H-purine
2-Chlorophenthiazine
2-chloroadenine(2-cl-ade)
CHLOROADENINE
2-chloro-7h-purin-6-amine
9H-Purin-6-amine, 2-chloro-
[EINECS(EC#)]

606-011-2
[Molecular Formula]

C5H4ClN5
[MDL Number]

MFCD00127773
[Molecular Weight]

169.57
[MOL File]

1839-18-5.mol
Chemical PropertiesBack Directory
[Melting point ]

>300°C(dec)
[Boiling point ]

279.76°C (rough estimate)
[density ]

1.4937 (rough estimate)
[refractive index ]

1.6110 (estimate)
[storage temp. ]

-20°C
[solubility ]

Aqueous Base (Slightly), DMSO (Very Slightly, Heated, Sonicated)
[pka]

7.17±0.20(Predicted)
[form ]

Solid
[color ]

Pale yellow
[Water Solubility ]

8.3mg/L(25 ºC)
[λmax]

264nm(lit.)
[CAS DataBase Reference]

1839-18-5(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

22
[Safety Statements ]

24/25
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HS Code ]

29339900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Ethyl acetate-->Methanol-->Phosphorus oxychloride-->Ammonium hydroxide-->2,6-Dihydroxypurine-->Diphosphoryl chloride
Hazard InformationBack Directory
[Description]

2-Chloroadenine is a heterocyclic building block that has been used in the synthesis of adenosine antimetabolites with antineoplastic activity. It is also the major catabolite of 2-chloro-2’-deoxyadenosine.
[Chemical Properties]

Pale Yellow Solid
[Uses]

2-Chloroadenine is a compound useful in organic synthesis used in the preparation of 8-oxadenine derivatives.
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