2-Chloroadenine , 98% , 1839-18-5

Synonym(s):
2-Chloro-6-aminopurine

CAS NO.：1839-18-5

Empirical Formula: C5H4ClN5

Molecular Weight: 169.57

MDL number: MFCD00127773

EINECS: 606-011-2

PRODUCT Properties

• 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.)
• InChI: InChI=1S/C5H4ClN5/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H3,7,8,9,10,11)
• InChIKey: HBJGQJWNMZDFKL-UHFFFAOYSA-N
• SMILES: NC1N=C(N=C2N=CNC2=1)Cl
• CAS DataBase Reference: 1839-18-5(CAS DataBase Reference)

Description and Uses

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.

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

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302
• Precautionary statements: P264-P270-P301+P312+P330-P501
• Hazard Codes: Xi,Xn
• Risk Statements: 22
• Safety Statements: 24/25
• WGK Germany: 3
• Hazard Note: Irritant
• HS Code: 29339900
• Storage Class: 11 - Combustible Solids
• Hazard Classifications: Acute Tox. 4 Oral