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CAS Number: 5399-92-8
4-chloro-1H-pyrazolo[3,4-d]pyrimidine

Structure

4-chloro-1H-pyrazolo[3,4-d]pyrimidine
Name: 4-chloro-1H-pyrazolo[3,4-d]pyrimidine
Synonyms:
General Information
Product Number: 5399928

CAS Registry Number 5399-92-8
Name:
1H-​Pyrazolo[3,​4-​d]​pyrimidine, 4-​chloro-
4-Chloro-1H-pyrazol[3,4-d]pyrimidine
4-Chloro-1H-pyrazolo[3,4-d]pyrimidine
4-Chloropyrazolo[3,4-d]pyrimidine
NSC 4937

 

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%)

 

InChI:InChI=1S/C5H3ClN4/c6-4-3-1-9-10-5(3)8-2-7-4/h1-2H,(H,7,8,9,10)

InChI Key:YMXQUFUYCADCFL-UHFFFAOYSA-N

Canonical SMILES:C1=NNC2=C1C(=NC=N2)Cl

 

Thermal Properties Value Condition Note
Melting Point 150-155 °C (decomp)   (2)IC

Specification

98%

References

(2) Golubev, V. A.; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya 1982, (12), P2763-6 CAPLUS

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