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CAS Number: 3993-78-0
4-chloropyrimidin-2-amine

Structure

4-chloropyrimidin-2-amine
Name: 4-chloropyrimidin-2-amine
Synonyms:
General Information
Product Number: 3993780

CAS Registry Number 3993-78-0
Name:
2-​Pyrimidinamine, 4-​chloro-
Pyrimidine, 2-amino-4-chloro- (6CI,7CI,8CI)
(4-Chloropyrimidin-2-yl)amine
2-Amino-4-chloropyrimidine
4-Chloro-2-pyrimidinamine
NSC 10872

 

Chemical Formula: C4H4ClN3
Exact Mass: 129.01
Molecular Weight: 129.55
m/z: 129.01 (100.0%), 131.01 (32.0%), 130.01 (5.4%), 132.01 (1.4%)

 

InChI:InChI=1S/C4H4ClN3/c5-3-1-2-7-4(6)8-3/h1-2H,(H2,6,7,8)

InChI Key:DBGFGNCFYUNXLD-UHFFFAOYSA-N

Canonical SMILES:C1=CN=C(N=C1Cl)N

 

Thermal Properties Value Condition Note
Melting Point 234-236 °C   (3)CAS
Melting Point 156-158 °C   (4)CAS
Melting Point 155-156 °C   (1)CAS
Melting Point See full text   (5)CAS

Specification

98%

References
  1. (1) Minakawa, Noriaki; Journal of the American Chemical Society 2003, V125(33), P9970-9982 CAPLUS
  2. (3) Roblin, Richard O., Jr.; Journal of the American Chemical Society 1942, V64, P567-70 CAPLUS
  3. (4) Sun, Zhihua; Journal of Organic Chemistry 2011, V76(10), P4149-4153 CAPLUS
  4. (5) Tibiletti, Francesco; Tetrahedron 2010, V66(6), P1280-1288 CAPLUS
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