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CAS Number: 1721-12-6
1-(2-methylpyridin-3-yl)ethanone

Structure

1-(2-methylpyridin-3-yl)ethanone
Name: 1-(2-methylpyridin-3-yl)ethanone
Synonyms:
General Information
Product Number: 1721126
CAS Registry Number: 1721-12-6
Name:
Ethanone, 1-​(2-​methyl-​3-​pyridinyl)​-
Ketone, methyl 2-​methyl-​3-​pyridyl (6CI,​7CI,​8CI); 1-​(2-​Methylpyridin-​3-​yl)​ethanone; 3-​Acetyl-​2-​methylpyridine; 3-​Acetyl-​2-​picoline 
 
Chemical Formula: C8H9NO
Exact Mass: 135.07
Molecular Weight: 135.16
m/z: 135.07 (100.0%), 136.07 (9.2%)
Elemental Analysis: C, 71.09; H, 6.71; N, 10.36; O, 11.84
 
InChI: InChI=1S/C8H9NO/c1-6-8(7(2)10)4-3-5-9-6/h3-5H,1-2H3
InChIKey: NNBYTRDSKTZTGA-UHFFFAOYSA-N
Canonical SMILES : CC1=C(C=CC=N1)C(=O)C
 
Thermal Properties Value Condition Note
Boiling Point 112 °C Press: 16 Torr (1)CAS
Boiling Point 102-103 °C Press: 15 Torr (2)CAS
Boiling Point 99-100 °C Press: 15 Torr (3)CAS
Boiling Point 98-100 °C Press: 12 Torr (4)CAS
Boiling Point 80-85 °C Press: 2 Torr (5)CAS
Melting Point 203 °C (decomp)   (7)CAS
Melting Point 30-31 °C   (3)CAS

Specification

98%

References
  1. (1) Pasedach, Heinrich; DE 1207930 1965 CAPLUS
  2. (2) Nakashima, Tatsumi; Yakugaku Zasshi 1958, V78, P661-6 CAPLUS
  3. (3) Baumgarten, Paul; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1939, V72B, P563-6 CAPLUS
  4. (4) Dornow, Alfred; Chemische Berichte 1949, V82, P117-20 CAPLUS
  5. (5) Sato, Yoshinobu; Takamine Kenkyusho Nenpo 1958, V10, P27-9 CAPLUS
  6. (6) Lieby-Muller, Frederic; Chemical Communications (Cambridge, United Kingdom) 2008, (35), P4207-4209 CAPLUS
  7. (7) Dornow, Alfred; Archiv der Pharmazie und Berichte der Deutschen Pharmazeutischen Gesellschaft 1952, V285, P80-6 CAPLUS
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