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CAS Number: 1028-86-0
N-(2-chloropyridin-3-yl)-2-nitrobenzamide

Structure

N-(2-chloropyridin-3-yl)-2-nitrobenzamide
Name: N-(2-chloropyridin-3-yl)-2-nitrobenzamide
Synonyms:
General Information
Product Number: 1028860

CAS Registry Number: 1028-86-0

Name:

Benzamide, N-​(2-​chloro-​3-​pyridinyl)​-​2-​nitro-
Benzamide, N-​(2-​chloro-​3-​pyridyl)​-​o-​nitro- (8CI); Pyridine, 2-​chloro-​3-​(o-​nitrobenzamido)​- (7CI); N-​(2-​Chloro-​3-​pyridyl)​-​o-​nitrobenzamide 

 

Chemical Formula: C12H8ClN3O3
Exact Mass: 277.03
Molecular Weight: 277.66
m/z: 277.03 (100.0%), 279.02 (32.0%), 278.03 (13.2%), 280.03 (4.3%), 279.03 (1.5%), 278.02 (1.1%)
Elemental Analysis: C, 51.91; H, 2.90; Cl, 12.77; N, 15.13; O, 17.29

 

InChI: InChI=1S/C12H8ClN3O3/c13-11-9(5-3-7-14-11)15-12(17)8-4-1-2-6-10(8)16(18)19/h1-7H,(H,15,17)
InChIKey: JZEBEDCRJXPXIC-UHFFFAOYSA-N
Canonical SMILES : C1=CC=C(C(=C1)C(=O)NC2=C(N=CC=C2)Cl)[N+](=O)[O-]

 

Thermal Properties Value Condition Note
Melting Point 158.0-161.5 °C   (3)CAS
Melting Point 154-156 °C Solv: dichloromethane (75-09-2); hexane (110-54-3) (1)CAS
Melting Point 152 °C Solv: chloroform (67-66-3) (2)CAS
Melting Point See full text   (4)CAS

 

Specification

98%

References
  1. (1) Beccalli, Egle M.; Tetrahedron 2004, V61(1), P61-68 CAPLUS
  2. (2) Tahtaoui, Chouaib; Journal of Medicinal Chemistry 2004, V47(17), P4300-4315 CAPLUS
  3. (3) Schmidt, Guenther; DE 1179943 1964 CAPLUS
  4. (4) Schmidt, Guenther; US 3406168 A 1968 CAPLUS
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