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38469-85-1

38469-85-1 structure
38469-85-1 structure
  • Name: 2-methoxy-6-nitrobenzonitrile
  • Chemical Name: 2-Methoxy-6-nitrobenzonitrile
  • CAS Number: 38469-85-1
  • Molecular Formula: C8H6N2O3
  • Molecular Weight: 178.14500
  • Create Date: 2018-03-06 08:00:00
  • Modify Date: 2025-08-25 19:28:36
Name 2-Methoxy-6-nitrobenzonitrile
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
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

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
HS Code 2926909090
67-56-1 structure

67-56-1

35213-00-4 structure

35213-00-4

~65%

38469-85-1 structure

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
67-56-1 structure

67-56-1

612-24-8 structure

612-24-8

~60%

38469-85-1 structure

38469-85-1

Literature: Li, Wu; Sun, Peipei Journal of Organic Chemistry, 2012 , vol. 77, # 18 p. 8362 - 8366
603-12-3 structure

603-12-3

~%

38469-85-1 structure

38469-85-1

Literature: Sellstedt; Guinosso; Begany; Bell; Rosenthale Journal of Medicinal Chemistry, 1975 , vol. 18, # 9 p. 926 - 933
35213-00-4 structure

35213-00-4

124-41-4 structure

124-41-4

~87%

38469-85-1 structure

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
606-21-3 structure

606-21-3

~%

38469-85-1 structure

38469-85-1

Literature: Harris, Neil V.; Smith, Christopher; Bowden, Keith Journal of Medicinal Chemistry, 1990 , vol. 33, # 1 p. 434 - 444
67-56-1 structure

67-56-1

99-65-0 structure

99-65-0

151-50-8 structure

151-50-8

~%

38469-85-1 structure

38469-85-1

Literature: Russell; Tebbens Organic Syntheses, 1942 , vol. 22, p. 35
16315-07-4 structure

16315-07-4

~%

38469-85-1 structure

38469-85-1

Literature: Blanksma Chem. Zentralbl., 1908 , vol. 79, # II p. 1826
16554-45-3 structure

16554-45-3

~%

38469-85-1 structure

38469-85-1

Literature: Blanksma Chem. Zentralbl., 1908 , vol. 79, # II p. 1826
606-21-3 structure

606-21-3

~%

38469-85-1 structure

38469-85-1

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