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CAS Number: 35139-67-4
2,6-diamino-4-chloropyrimidine 1-oxide

Structure

 2,6-diamino-4-chloropyrimidine 1-oxide
Name: 2,6-diamino-4-chloropyrimidine 1-oxide
Synonyms:
General Information
Product Number: 35139674

CAS Registry Number 35139-67-4
Name:
2,?4-?Pyrimidinediamine, 6-?chloro-?, 3-?oxide
2,4-Diamino-6-chloropyrimidine 3-N-oxide
2,4-Diamino-6-chloropyrimidine 3-oxide
6-Chloro-2,4-diaminopyrimidine 3-oxide
6-Chloro-2,4-pyrimidinediamine 3-oxide
NSC 137211

 

Chemical Formula: C4H5ClN4O
Exact Mass: 160.02
Molecular Weight: 160.56
m/z: 160.02 (100.0%), 162.01 (32.0%), 161.02 (4.4%), 161.01 (1.5%), 163.02 (1.4%)

 

InChI:InChI=1S/C4H5ClN4O/c5-2-1-3(6)9(10)4(7)8-2/h1,7,10H,6H2

InChI Key:DOYINGSIUJRVKA-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 210 °C   (2)IC
Melting Point 193 °C Solv: ethanol (64-17-5) (3)IC
Melting Point See full text   (4)IC

Specification

98%
References
  1. (2) Allaigre, Jean Pierre; FR 2632954 A1 1989 CAPLUS
  2. (3) Muller, Jean Claude; Helvetica Chimica Acta 1982, V65(5), P1445-53 CAPLUS
  3. (4) Catto, A.; Bollettino Chimico Farmaceutico 1982, V121(1), P16-26 CAPLUS
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