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CAS Number: 53342-27-1
1-(pyrimidin-2-yl)ethanone

Structure

1-(pyrimidin-2-yl)ethanone
Name: 1-(pyrimidin-2-yl)ethanone
Synonyms:
General Information
Product Number: 53342271
CAS Registry Number: 53342-27-1
Name:
Ethanone, 1-​(2-​pyrimidinyl)​-
1-​(2-​Pyrimidinyl)​ethanone; 1-​(Pyrimidin-​2-​yl)​ethan-​1-​one; 2-​Acetylpyrimidine; Methyl 2-​pyrimidyl ketone 
 
Chemical Formula: C6H6N2O
Exact Mass: 122.05
Molecular Weight: 122.12
m/z: 122.05 (100.0%), 123.05 (7.3%)
Elemental Analysis: C, 59.01; H, 4.95; N, 22.94; O, 13.10
 
InChI: InChI=1S/C6H6N2O/c1-5(9)6-7-3-2-4-8-6/h2-4H,1H3
InChIKey: SPZUXKZZYDALEY-UHFFFAOYSA-N
Canonical SMILES : CC(=O)C1=NC=CC=N1
 
Thermal Properties Value Condition Note
Boiling Point 148-152 °C Press: 2 Torr (1)CAS
Boiling Point 100-110 °C Press: 2-3 Torr (2)IC
Melting Point 52 °C   (2)IC

Specification

98%

References
  1. (1) GB 1191869 1970 CAPLUS
  2. (2) Naumenko, I. I.; Khimiya Geterotsiklicheskikh Soedinenii 1981, (7), P958-62 CAPLUS
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