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CAS Number: 38469-85-1
2-methoxy-6-nitrobenzonitrile

Structure

2-methoxy-6-nitrobenzonitrile
Name: 2-methoxy-6-nitrobenzonitrile
Synonyms:
General Information
Product Number: 38469851

CAS Registry Number 38469-85-1
Name:
Benzonitrile, 2-​methoxy-​6-​nitro-
o-Anisonitrile, 6-nitro- (6CI)
2-Methoxy-6-nitrobenzonitrile
6-Methoxy-2-nitrobenzonitrile
NSC 27010

 

Chemical Formula: C8H6N2O3
Exact Mass: 178.04
Molecular Weight: 178.14
m/z: 178.04 (100.0%), 179.04 (8.8%), 180.04 (1.0%)

 

InChI:InChI=1S/C8H6N2O3/c1-13-8-4-2-3-7(10(11)12)6(8)5-9/h2-4H,1H3

InChI Key:ZHJPRHIYTNVTLI-UHFFFAOYSA-N

Canonical SMILES:COC1=CC=CC(=C1C#N)[N+](=O)[O-]

 

Thermal Properties Value Condition Note
Melting Point 174-177 °C   (4)IC
Melting Point 173 °C   (5)CAS

Specification

98%

References
  1. (4) Sellstedt, John H.; Journal of Medicinal Chemistry 1975, V18(9), P926-33 CAPLUS
  2. (5) Chang, Pang; Huaxue Xuebao 1958, V24, P141-6 CAPLUS
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