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CAS Number: 696-08-2
4-chloro-2-methylpyridine 1-oxide

Structure

4-chloro-2-methylpyridine 1-oxide
Name: 4-chloro-2-methylpyridine 1-oxide
Synonyms:
General Information
Product Number: 696082
CAS Registry Number: 696-08-2
Name:
Pyridine, 4-​chloro-​2-​methyl-​, 1-​oxide
2-​Picoline, 4-​chloro-​, 1-​oxide (6CI,​7CI,​8CI); 4-​Chloro-​2-​methylpyridine 1-​oxide; 4-​Chloro-​2-​methylpyridine N-​oxide; 4-​Chloro-​2-​methylpyridine oxide; 4-​Chloro-​2-​picoline 1-​oxide 
 
Chemical Formula: C6H6ClNO
Exact Mass: 143.01
Molecular Weight: 143.57
m/z: 143.01 (100.0%), 145.01 (32.0%), 144.02 (6.6%), 146.01 (2.2%)
Elemental Analysis: C, 50.19; H, 4.21; Cl, 24.69; N, 9.76; O, 11.14
 
InChI: InChI=1S/C6H6ClNO/c1-5-4-6(7)2-3-8(5)9/h2-4H,1H3
InChIKey: GAILJAVYTROIFN-UHFFFAOYSA-N
Canonical SMILES : CC1=[N+](C=CC(=C1)Cl)[O-]
 
Thermal Properties Value Condition Note
Boiling Point 105-110 °C Press: 2 Torr (1)CAS
Boiling Point 92-94 °C Press: 0.7 Torr (2)IC
Boiling Point 78 °C Press: 0.06 Torr (3)IC
Melting Point 124 °C   (4)CAS
Melting Point 37 °C   (3)IC
Melting Point 33 °C   (2)IC

Specification

98%

References
  1. (1) Profft, Elmar; Wissenschaftliche Zeitschrift der Technischen Hochschule fuer Chemie "Carl Schorlemmer" Leuna-Merseburg 1960, V2, P187-93 CAPLUS
  2. (2) Zhang, Yongming; Hangzhou Daxue Xuebao, Ziran Kexueban 1982, V9(4), P461-5 CAPLUS
  3. (3) Schulz, Otto Erich; Archiv der Pharmazie (Weinheim, Germany) 1977, V310(2), P128-36 CAPLUS
  4. (4) Profft, E.; Archiv der Pharmazie und Berichte der Deutschen Pharmazeutischen Gesellschaft 1961, V294, P292-301 CAPLUS
  5. (5) Bellas, M.; Journal of the Chemical Society 1965, (March), P2096-2110 CAPLUS
  6. (6) Zhang, Christiana Xin; Inorganic Chemistry 2003, V42(6), P1807-1824 CAPLUS
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