2-methoxy-6-nitrobenzonitrile

Modify Date: 2024-01-11 17:05:05

2-methoxy-6-nitrobenzonitrile Structure
2-methoxy-6-nitrobenzonitrile structure
 Common Name 2-methoxy-6-nitrobenzonitrile
CAS Number 38469-85-1 Molecular Weight 178.14500
Density 1.32g/cm3 Boiling Point 364.5ºC at 760 mmHg
Molecular Formula C8H6N2O3 Melting Point N/A
MSDS N/A Flash Point 174.3ºC

 Names

Name 2-Methoxy-6-nitrobenzonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.32g/cm3
Boiling Point 364.5ºC at 760 mmHg
Molecular Formula C8H6N2O3
Molecular Weight 178.14500
Flash Point 174.3ºC
Exact Mass 178.03800
PSA 78.84000
LogP 1.99828
Index of Refraction 1.563

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DI4725000
CHEMICAL NAME :
Benzonitrile, 2-methoxy-6-nitro-
CAS REGISTRY NUMBER :
38469-85-1
BEILSTEIN REFERENCE NO. :
2213299
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H6-N2-O3
MOLECULAR WEIGHT :
178.16
WISWESSER LINE NOTATION :
WNR CO1 BCN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,32,1953

 Safety Information

HS Code 2926909090

 Synthetic Route

Methanol structure

Methanol

CAS#:67-56-1
2,6-Dinitrobenzonitrile structure

2,6-Dinitrobenz...

CAS#:35213-00-4

~65%

2-methoxy-6-nitrobenzonitrile Structure

2-methoxy-6-nit...

CAS#:38469-85-1
Literature: Thurmond, John; Butchbach, Matthew E. R.; Palomo, Marty; Pease, Brian; Rao, Munagala; Bedell, Louis; Keyvan, Monica; Pai, Grace; Mishra, Rama; Haraldsson, Magnus; Andresson, Thorkell; Bragason, Gisli; Thosteinsdottir, Margret; Bjornsson, Jon Mar; Coovert, Daniel D.; Burghes, Arthur H. M.; Gurney, Mark E.; Singh, Jasbir Journal of Medicinal Chemistry, 2008 , vol. 51, # 3 p. 449 - 469
Methanol structure

Methanol

CAS#:67-56-1
2-Nitrobenzonitrile structure

2-Nitrobenzonitrile

CAS#:612-24-8

~60%

2-methoxy-6-nitrobenzonitrile Structure

2-methoxy-6-nit...

CAS#:38469-85-1
Literature: Li, Wu; Sun, Peipei Journal of Organic Chemistry, 2012 , vol. 77, # 18 p. 8362 - 8366
2,6-DINITROBENZOIC ACID structure

2,6-DINITROBENZ...

CAS#:603-12-3

~%

2-methoxy-6-nitrobenzonitrile Structure

2-methoxy-6-nit...

CAS#:38469-85-1
Literature: Sellstedt; Guinosso; Begany; Bell; Rosenthale Journal of Medicinal Chemistry, 1975 , vol. 18, # 9 p. 926 - 933
2,6-Dinitrobenzonitrile structure

2,6-Dinitrobenz...

CAS#:35213-00-4
Sodium Methylate structure

Sodium Methylate

CAS#:124-41-4

~87%

2-methoxy-6-nitrobenzonitrile Structure

2-methoxy-6-nit...

CAS#:38469-85-1
Literature: Gong, Gangli; Xie, Yuli; Liu, Yidong; Rinderspacher, Alison; Deng, Shi-Xian; Feng, Yan; Zhu, Zhengxiang; Tang, Yufei; Wyler, Michael; Aulner, Nathalie; Toebben, Udo; Smith, Deborah H.; Branden, Lars; Chung, Caty; Schuerer, Stephan; Vidovic, Dusica; Landry, Donald W. Bioorganic and Medicinal Chemistry Letters, 2009 , vol. 19, # 4 p. 1191 - 1194
2-Chloro-1,3-dinitrobenzene structure

2-Chloro-1,3-di...

CAS#:606-21-3

~%

2-methoxy-6-nitrobenzonitrile Structure

2-methoxy-6-nit...

CAS#:38469-85-1
Literature: Harris, Neil V.; Smith, Christopher; Bowden, Keith Journal of Medicinal Chemistry, 1990 , vol. 33, # 1 p. 434 - 444
Methanol structure

Methanol

CAS#:67-56-1
1,3-Dinitrobenzene structure

1,3-Dinitrobenzene

CAS#:99-65-0
POTASSIUM CYANIDE structure

POTASSIUM CYANIDE

CAS#:151-50-8

~%

2-methoxy-6-nitrobenzonitrile Structure

2-methoxy-6-nit...

CAS#:38469-85-1
Literature: Russell; Tebbens Organic Syntheses, 1942 , vol. 22, p. 35
Benzene,1-methoxy-2,3-dinitro- structure

Benzene,1-metho...

CAS#:16315-07-4

~%

2-methoxy-6-nitrobenzonitrile Structure

2-methoxy-6-nit...

CAS#:38469-85-1
Literature: Blanksma Chem. Zentralbl., 1908 , vol. 79, # II p. 1826
2-Methoxy-6-nitroaniline structure

2-Methoxy-6-nit...

CAS#:16554-45-3

~%

2-methoxy-6-nitrobenzonitrile Structure

2-methoxy-6-nit...

CAS#:38469-85-1
Literature: Blanksma Chem. Zentralbl., 1908 , vol. 79, # II p. 1826
2-Chloro-1,3-dinitrobenzene structure

2-Chloro-1,3-di...

CAS#:606-21-3

~%

2-methoxy-6-nitrobenzonitrile Structure

2-methoxy-6-nit...

CAS#:38469-85-1
Literature: Harris, Neil V.; Smith, Christopher; Bowden, Keith Journal of Medicinal Chemistry, 1990 , vol. 33, # 1 p. 434 - 444

 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

1-cyano-2-methoxy-6-nitrobenzene
Methylaether-6-nitro-salicylsaeure-nitril
6-Nitro-2-methoxy-benzoesaeure-nitril
2-Methoxy-6-nitro-benzonitril
2-methoxy-6-nitro-benzonitrile
EINECS 253-961-5
6-methoxy-2-nitrobenzonitrile
BENZONITRILE,2-METHOXY-6-NITRO
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