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CAS Number: 70271-80-6
ethyl 4-chloro-2,6-dimethylnicotinate

Structure

ethyl 4-chloro-2,6-dimethylnicotinate
Name: ethyl 4-chloro-2,6-dimethylnicotinate
Synonyms:
General Information
Product Number: 70271806
CAS Registry Number: 70271-80-6
Name:
        3-​Pyridinecarboxylic acid, 4-​chloro-​2,​6-​dimethyl-​, ethyl ester
        Ethyl 4-​chloro-​2,​6-​dimethylnicotinate; Ethyl 4-​chloro-​2,​6-​dimethylpyridine-​3-​carboxylate; NSC 44686 
 
Chemical Formula: C10H12ClNO2
Exact Mass: 213.06
Molecular Weight: 213.66
m/z: 213.06 (100.0%), 215.05 (32.0%), 214.06 (11.0%), 216.06 (3.6%)
Elemental Analysis: C, 56.21; H, 5.66; Cl, 16.59; N, 6.56; O, 14.98
 
InChI: InChI=1S/C10H12ClNO2/c1-4-14-10(13)9-7(3)12-6(2)5-8(9)11/h5H,4H2,1-3H3
InChIKey: KBTAWKCADOMPGE-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C(N=C(C=C1Cl)C)C
 
Thermal Properties Value Condition Note
Boiling Point 105 °C Press: 2 Torr (1)IC
Boiling Point 92-94 °C Press: 0.5 Torr (2)IC

Specification

98%

References

  • (1) Hoerlein, Gerhard; Liebigs Annalen der Chemie 1979, (3), P387-91 CAPLUS
  • (2) Newkome, George R.; Tetrahedron 1983, V39(12), P2001-8 CAPLUS
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