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CAS Number: 1945-85-3
5-ethynyl-2-methylpyridine

Structure

5-ethynyl-2-methylpyridine
Name: 5-ethynyl-2-methylpyridine
Synonyms:
General Information
Product Number: 1945853

CAS Registry Number 1945-85-3
Name:
Pyridine, 5-?ethynyl-?2-?methyl-
2-Picoline, 5-ethynyl- (6CI,7CI,8CI)
(2-Methyl-5-pyridyl)acetylene
2-Methyl-5-ethynylpyridine
3-Ethynyl-6-methylpyridine
5-Ethynyl-2-methylpyridine

 

Chemical Formula: C8H7N
Exact Mass: 117.06
Molecular Weight: 117.15
m/z: 117.06 (100.0%), 118.06 (8.7%)

 

InChI:InChI=1S/C8H7N/c1-3-8-5-4-7(2)9-6-8/h1,4-6H,2H3

InChI Key:NKVINJAPLKEYQS-UHFFFAOYSA-N

Canonical SMILES:CC1=NC=C(C=C1)C#C

 

Thermal Properties Value Condition Note
Boiling Point 88 °C Press: 6 Torr (1)IC
Boiling Point 80-85 °C Press: 20 Torr (2)CAS
Boiling Point 64-66 °C Press: 5 Torr (3)CAS
Boiling Point 62-64 °C Press: 13 Torr (4)CAS
Melting Point 188-190 °C   (6)CAS
Melting Point 53.0-53.5 °C   (4)CAS
Melting Point 52-53 °C   (7)IC
Melting Point 51-52 °C   (3)CAS
Melting Point 51 °C   (1)IC

Specification

98%

References
  1. (1) Kurbanov, A. I.; Uzbekskii Khimicheskii Zhurnal 1988, (2), P31-3 CAPLUS
  2. (2) Kost, A. N.; Metody Polucheniya Khimicheskikh Reaktivov i Preparatov 1964, (11), P73-6 CAPLUS
  3. (3) Kost, A. N.; Doklady Akademii Nauk SSSR 1960, V130, P326-8 CAPLUS
  4. (4) Yoshida, Michio; Nippon Kagaku Zasshi 1959, V80, P1315-17 CAPLUS
  5. (6) Korshak, V. V.; Doklady Akademii Nauk SSSR 1962, V144, P115-17 CAPLUS
  6. (7) Bochis, Richard J.; Journal of Medicinal Chemistry 1981, V24(12), P1518-21 CAPLUS
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