CAS Registry Number: 1681-15-8

Name:

9H-​Purine, 2-​chloro-
1H-​Purine, 2-​chloro- (9CI); Purine, 2-​chloro- (7CI,​8CI); 2-​Chloropurine; NSC 17111 

Deleted CAS Registry Numbers: 20190-​09-​4

Chemical Formula: C5H3ClN4
Exact Mass: 154.00
Molecular Weight: 154.56
m/z: 154.00 (100.0%), 156.00 (32.0%), 155.01 (5.4%), 157.01 (1.7%), 155.00 (1.5%)
Elemental Analysis: C, 38.86; H, 1.96; Cl, 22.94; N, 36.25

InChI: InChI=1S/C5H3ClN4/c6-5-7-1-3-4(10-5)9-2-8-3/h1-2H,(H,7,8,9,10)
InChIKey: JBMBVWROWJGFMG-UHFFFAOYSA-N
Canonical SMILES : C1=C2C(=NC(=N1)Cl)N=CN2

Specification

98%

1. (1) Seela, F.; Science of Synthesis 2004, V16, P945-1108 CAPLUS
2. (2) ACD: Spectral data were obtained from Advanced Chemistry Development, Inc.
3. (3) Cesnek, Michal; Collection of Czechoslovak Chemical Communications 2006, V71(9), P1303-1319 CAPLUS
4. (4) Tisler, Miha; Heterocycles 1982, V17(Spec. Issue), P405-11 CAPLUS
5. (5) Breshears, S. R.; Journal of the American Chemical Society 1959, V81, P3789-92 CAPLUS
6. (6) Ballweg, Hubert; Justus Liebigs Annalen der Chemie 1961, V649, P114-24 CAPLUS
7. (7) Bredereck, Hellmut; Chemische Berichte 1962, V95, P54-7 CAPLUS