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3-Methoxy-5-nitrobenzotrifluoride

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3-Methoxy-5-nitrobenzotrifluoride Basic information

Product Name:
3-Methoxy-5-nitrobenzotrifluoride
Synonyms:
  • TIMTEC-BB SBB010016
  • 1-Methoxy-3-nitro-5-(trifluoromethyl)benzene
  • 3-Methoxy-5-nitrobenzotrifluoride 99%
  • 3-Methoxy-5-nitrobenzotrifluoride99%
  • 5-methoxy-3-nitrobenzotrifluoride
  • 3-METHOXY-5-NITROBENZOTRIFLUORIDE
  • 3-Nitro-5-(trifluoroMethyl)anisole
  • Benzene, 1-methoxy-3-nitro-5-(trifluoromethyl)-
CAS:
328-79-0
MF:
C8H6F3NO3
MW:
221.13
Product Categories:
  • Nitro Compounds
  • Nitrogen Compounds
  • Organic Building Blocks
Mol File:
328-79-0.mol
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3-Methoxy-5-nitrobenzotrifluoride Chemical Properties

Melting point:
36-38 °C (lit.)
Boiling point:
246.9±40.0 °C(Predicted)
Density 
1.392±0.06 g/cm3(Predicted)
Flash point:
>230 °F
storage temp. 
2-8°C
form 
solid
color 
Low-mwlting
CAS DataBase Reference
328-79-0(CAS DataBase Reference)
NIST Chemistry Reference
3-Methoxy-5-nitrobenzotrifluoride(328-79-0)
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Safety Information

Hazard Codes 
C,Xi
Risk Statements 
34-36/38-21/22
Safety Statements 
26-27-28-36/37/39-45
RIDADR 
UN 1759 8/PG 2
WGK Germany 
3
Hazard Note 
Irritant
HazardClass 
8
PackingGroup 
III
HS Code 
2909309090

MSDS

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3-Methoxy-5-nitrobenzotrifluoride Usage And Synthesis

Uses

3-Methoxy-5-nitrobenzotrifluoride may be used in chemical synthesis.

Synthesis

401-99-0

124-41-4

328-79-0

To a solution of 3,5-dinitrobenzotrifluoride (10 g, 42.4 mmol) in anhydrous methanol (100 mL) was slowly added a solution of sodium methanolate (3.43 g, 63.5 mmol) in anhydrous methanol (20 mL). The reaction mixture was heated to reflux for 1 hour and subsequently concentrated by rotary evaporation to remove the methanol solvent. The concentrated residue was diluted with ethyl acetate (80 mL) and water (30 mL) to separate the organic phase. The organic phase was dried over anhydrous sodium sulfate (Na2SO4), filtered and concentrated to give 3-nitro-5-(trifluoromethyl)anisole (8.5 g) as a red solid. The product was analyzed by LC-MS (ESI): no [M + H]+ peak was observed; retention time was 1.85 min.

References

[1] Journal of the Chemical Society, 1951, p. 2013,2016
[2] Journal of the American Chemical Society, 1955, vol. 77, p. 2284,2285
[3] Patent: WO2013/13503, 2013, A1. Location in patent: Page/Page column 43

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