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CAS Number: 90213-66-4
2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine

Structure

2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine
Name: 2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine
Synonyms:
General Information
Product Number: 90213664

CAS Registry Number: 90213-66-4

Name:

7H-​Pyrrolo[2,​3-​d]​pyrimidine, 2,​4-​dichloro-
1H-​Pyrrolo[2,​3-​d]​pyrimidine, 2,​4-​dichloro- (9CI); 2,​4-​Dichloro-​7H-​pyrrolo[2,​3-​d]​pyrimidine 

 

Chemical Formula: C6H3Cl2N3
Exact Mass: 186.97
Molecular Weight: 188.01
m/z: 186.97 (100.0%), 188.97 (64.0%), 190.96 (10.2%), 187.97 (7.6%), 189.97 (4.2%)

 

InChI: InChI=1S/C6H3Cl2N3/c7-4-3-1-2-9-5(3)11-6(8)10-4/h1-2H,(H,9,10,11)
InChIKey: GHXBPCSSQOKKGB-UHFFFAOYSA-N
Canonical SMILES : C1=CNC2=C1C(=NC(=N2)Cl)Cl

 

Thermal Properties Value Condition Note
Melting Point 247-250 °C Solv: chloroform (67-66-3) (2)IC

Specification

98%

References
  1. (1) Chen, Zecheng; Journal of Medicinal Chemistry 2010, V53(8), P3169-3182 CAPLUS
  2. (2) Saxena, Naveen K.; Journal of Medicinal Chemistry 1988, V31(8), P1501-6 CAPLUS
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