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CAS Number: 1053228-29-7
2,4-dichloro-5-fluoro-7H-pyrrolo[2,3-d]pyrimidine

Structure

2,4-dichloro-5-fluoro-7H-pyrrolo[2,3-d]pyrimidine
Name: 2,4-dichloro-5-fluoro-7H-pyrrolo[2,3-d]pyrimidine
Synonyms:
General Information
Product Number: 1053228297
CAS Registry Number:
1053228-29-7
Name:
7H-Pyrrolo[2,3-d]pyrimidine, 2,4-dichloro-5-fluoro-
2,4-Dichloro-5-fluoro-7H-pyrrolo[2,3-d]pyrimidine 
 
Chemical Formula: C6H2Cl2FN3
Exact Mass: 204.96
Molecular Weight: 206.00
m/z: 204.96 (100.0%), 206.96 (64.0%), 208.96 (10.4%), 205.96 (7.6%), 207.96 (4.9%)
Elemental Analysis: C, 34.98; H, 0.98; Cl, 34.42; F, 9.22; N, 20.40
 
InChI: InChI=1S/C6H2Cl2FN3/c7-4-3-2(9)1-10-5(3)12-6(8)11-4/h1H,(H,10,11,12)
InChIKey: GBGLPMUAQOPSLG-UHFFFAOYSA-N
Canonical SMILES : C1=C(C2=C(N1)N=C(N=C2Cl)Cl)F
 
Thermal Properties Value Condition Note
Melting Point 234 °C Solv: dichloromethane (75-09-2) (1)CAS

Specification

98%

References
  1. (1) Seela, Frank; Helvetica Chimica Acta 2008, V91(6), P1083-1105 CAPLUS
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