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CAS Number: 18552-90-4
6-chloro-2-iodo-1H-purine

Structure

 6-chloro-2-iodo-1H-purine
Name: 6-chloro-2-iodo-1H-purine
Synonyms:
General Information
Product Number: 18552904

CAS Registry Number 18552-90-4
Name:
9H-?Purine, 6-?chloro-?2-?iodo-
1H-Purine, 6-chloro-2-iodo- (9CI)
Purine, 6-chloro-2-iodo- (8CI)
2-Iodo-6-chloropurine

 

Chemical Formula: C5H2ClIN4
Exact Mass: 279.90
Molecular Weight: 280.45
m/z: 279.90 (100.0%), 281.90 (32.0%), 280.90 (6.9%), 282.90 (2.2%)

 

InChI:InChI=1S/C5H2ClIN4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11)

InChI Key:SZRNPDHDBPGZOA-UHFFFAOYSA-N

Canonical SMILES:C1=NC2=C(N1)C(=NC(=N2)I)Cl

 

Thermal Properties Value Condition Note
Melting Point 226 °C Solv: dichloromethane (75-09-2); methanol (67-56-1) (5)CAS
Melting Point 210 °C (decomp)   (3)CAS

Specification

98%
References
  1. (3) Foitzik, Richard C.; Tetrahedron 2009, V65(43), P8851-8857 CAPLUS
  2. (5) Tak-Tak, Lotfi; European Journal of Medicinal Chemistry 2011, V46(4), P1254-1262 CAPLUS
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