CAS Registry Number: 1604-14-4

Name:

4-​Pyridinecarboxylic acid, 2,​6-​dichloro-​, ethyl ester
Isonicotinic acid, 2,​6-​dichloro-​, ethyl ester (6CI,​7CI,​8CI); 2,​6-​Dichloroisonicotinic acid ethyl ester; 2,​6-​Dichloropyridine-​4-​carboxylic acid ethyl ester; Ethyl 2,​6-​dichloro-​4-​pyridinecarboxylate; Ethyl 2,​6-​dichloroisonicotinat​e; NSC 4249 

Chemical Formula: C8H7Cl2NO2
Exact Mass: 218.99
Molecular Weight: 220.05
m/z: 218.99 (100.0%), 220.98 (63.9%), 222.98 (10.2%), 219.99 (8.8%), 221.99 (5.7%)

InChI: InChI=1S/C8H7Cl2NO2/c1-2-13-8(12)5-3-6(9)11-7(10)4-5/h3-4H,2H2,1H3
InChIKey: PVPBMYSZXFNZOM-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CC(=NC(=C1)Cl)Cl

Specification

98%

1. (1) Kumar, Rohan J.; Chemistry - A European Journal 2010, V16(9), P2830-2842, S2830/1-S2830/38 CAPLUS
2. (2) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
3. (3) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
4. (4) CH 302905 1955 CAPLUS
5. (5) Knuesli, Enrico; CH 384929 1965 CAPLUS