2-Methoxy-2-phenyl-3,3,3-trifluoropropionitrile

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Names

[ CAS No. ]:
80866-87-1

[ Name ]:
2-Methoxy-2-phenyl-3,3,3-trifluoropropionitrile

[Synonym ]:
3,3,3-trifluoro-2-methoxy-2-phenylpropanenitrile
MFCD00001844
EINECS 279-591-4

Chemical & Physical Properties

[ Density]:
1.152 g/mL at 25 °C(lit.)

[ Boiling Point ]:
76-82 °C12 mm Hg(lit.)

[ Molecular Formula ]:
C10H8F3NO

[ Molecular Weight ]:
215.17200

[ Flash Point ]:
153 °F

[ Exact Mass ]:
215.05600

[ PSA ]:
33.02000

[ LogP ]:
2.61418

[ Index of Refraction ]:
n20/D 1.444(lit.)

MSDS

Click to get detail MSDS

Safety Information

[ Hazard Codes ]:
Xn,T,Xi

[ Risk Phrases ]:
20/21/22

[ Safety Phrases ]:
S23-S26-S28-S37/39

[ RIDADR ]:
UN3276

[ WGK Germany ]:
3

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2,2,2-Trifluoroacetophenone
  • Sodium cyanide
  • Dimethyl sulfate
  • Bromobenzene

DownStream

  • (+/-)-1-methoxy-1-(trifluoromethyl)phenylacetyl chloride
  • (R)-(+)-Mosher's acid
  • Mosher's acid

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%

Related Compounds

  • 2,3-DICHLOROBENZALDOXIME
  • α-(Trifluoromethyl)phenylacetonitrile
  • 4H-1-Benzopyran-4-one,2,3-dihydro-3,3-dihydroxy-2-methoxy-2-phenyl-
  • MTPA-PYRAZOLE REAGENT
  • E/Z CF3(Ph)C=CHOCH3
  • 2-methoxy-2-phenyl-1,3-dioxolane