3-Methoxy-4-nitrobenzonitrile

Modify Date: 2025-08-25 15:39:10

3-Methoxy-4-nitrobenzonitrile Structure
3-Methoxy-4-nitrobenzonitrile structure
Common Name 3-Methoxy-4-nitrobenzonitrile
CAS Number 177476-75-4 Molecular Weight 178.14500
Density 1.32 g/cm3 Boiling Point 344.4ºC at 760 mmHg
Molecular Formula C8H6N2O3 Melting Point 125-126ºC
MSDS N/A Flash Point 162.1ºC

 Names

Name 3-Methoxy-4-nitrobenzonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.32 g/cm3
Boiling Point 344.4ºC at 760 mmHg
Melting Point 125-126ºC
Molecular Formula C8H6N2O3
Molecular Weight 178.14500
Flash Point 162.1ºC
Exact Mass 178.03800
PSA 78.84000
LogP 1.99828
InChIKey LCBUSDDLYBHQFA-UHFFFAOYSA-N
SMILES COc1cc(C#N)ccc1[N+](=O)[O-]

 Safety Information

HS Code 2926909090

 Synthetic Route

~94%

3-Methoxy-4-nitrobenzonitrile Structure

3-Methoxy-4-nit...

CAS#:177476-75-4

Literature: SMITHKLINE BEECHAM CORPORATION Patent: WO2005/82901 A1, 2005 ; Location in patent: Page/Page column 39 ;

~20%

3-Methoxy-4-nitrobenzonitrile Structure

3-Methoxy-4-nit...

CAS#:177476-75-4

Literature: American Home Products Corporation Patent: US5506252 A1, 1996 ;

~%

3-Methoxy-4-nitrobenzonitrile Structure

3-Methoxy-4-nit...

CAS#:177476-75-4

Literature: Journal of Medicinal Chemistry, , vol. 44, # 17 p. 2753 - 2771

~95%

3-Methoxy-4-nitrobenzonitrile Structure

3-Methoxy-4-nit...

CAS#:177476-75-4

Literature: BOEHRINGER INGELHEIM INTERNATIONAL GMBH Patent: WO2006/21544 A1, 2006 ; Location in patent: Page/Page column 64 ; WO 2006/021544 A1

~19%

3-Methoxy-4-nitrobenzonitrile Structure

3-Methoxy-4-nit...

CAS#:177476-75-4

Literature: Butera, John A.; Antane, Madelene M.; Antane, Schuyler A.; Argentieri, Thomas M.; Freeden, Chris; Graceffa, Russell F.; Hirth, Bradford H.; Jenkins, Douglas; Lennox, Joseph R.; Matelan, Edward; Norton, N. Wesley; Quagliato, Dominick; Sheldon, Jeffrey H.; Spinelli, Walter; Warga, Dawn; Wojdan, Alexandra; Woods, Morgan Journal of Medicinal Chemistry, 2000 , vol. 43, # 6 p. 1187 - 1202

~%

3-Methoxy-4-nitrobenzonitrile Structure

3-Methoxy-4-nit...

CAS#:177476-75-4

Literature: Journal of Medicinal Chemistry, , vol. 44, # 17 p. 2753 - 2771

 Customs

HS Code 2926909090
Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

3-methoxy-4-nitro-benzonitrile
4-Cyano-2-methoxynitrobenzene
5-Cyano-2-nitroanisole
3-methoxy-4-nitrobenzoinitrile
3-Methoxy-4-nitrobenzenecarbonitrile
methoxynitrobenzenecarbonitrile
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