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CAS Number: 51227-30-6
1-(4-methylpyridin-3-yl)ethanone

Structure

1-(4-methylpyridin-3-yl)ethanone
Name: 1-(4-methylpyridin-3-yl)ethanone
Synonyms:
General Information
Product Number: 51227306
CAS Registry Number: 51227-30-6
Name:
Ethanone, 1-​(4-​methyl-​3-​pyridinyl)​-
Ketone, methyl 4-​methyl-​3-​pyridyl (6CI); 1-​(4-​Methylpyridin-​3-​yl)​ethanone; 3-​Acetyl-​4-​methylpyridine; Methyl 4-​methyl-​3-​pyridyl ketone 
 
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/c1-6-3-4-9-5-8(6)7(2)10/h3-5H,1-2H3
InChIKey: LCEINQHGZAFADC-UHFFFAOYSA-N
Canonical SMILES : CC1=C(C=NC=C1)C(=O)C
 
Thermal Properties Value Condition Note
Boiling Point 105 °C Press: 12 Torr (1)CAS
Boiling Point 100-102 °C Press: 8 Torr (2)CAS
Boiling Point 100-102 °C Press: 8 Torr (3)CAS
Boiling Point 75 °C Press: 7 Torr (4)CAS
Melting Point 147 °C   (7)IC

Specification

98%

References
  1. (1) Rabe, Paul; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1921, V54B, P924-9 CAPLUS
  2. (2) Preobrazhenskii, N. A.; Zhurnal Obshchei Khimii 1945, V15, P667-71 CAPLUS
  3. (3) Yakhontov, L. N.; Zhurnal Obshchei Khimii 1960, V30, P1507-15 CAPLUS
  4. (4) Nishimoto, Nobushige; Yakugaku Zasshi 1961, V81, P88-92 CAPLUS
  5. (5) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  6. (6) Rey, Allan W.; Canadian Journal of Chemistry 1992, V70(12), P2922-8 CAPLUS
  7. (7) Deuchert, Klaus; Chemische Berichte 1979, V112(6), P2045-61 CAPLUS
  8. (8) Hilgeroth, Andreas; Heterocycles 2001, V55(4), P661-669 CAPLUS
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