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

Modify Date: 2025-08-29 12:38:03

2-Methoxy-2-phenyl-3,3,3-trifluoropropionitrile Structure
2-Methoxy-2-phenyl-3,3,3-trifluoropropionitrile structure
Common Name 2-Methoxy-2-phenyl-3,3,3-trifluoropropionitrile
CAS Number 80866-87-1 Molecular Weight 215.17200
Density 1.152 g/mL at 25 °C(lit.) Boiling Point 76-82 °C12 mm Hg(lit.)
Molecular Formula C10H8F3NO Melting Point N/A
MSDS N/A Flash Point 153 °F

 Names

Name 2-Methoxy-2-phenyl-3,3,3-trifluoropropionitrile
Synonym More Synonyms

 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.)
InChIKey UBOJBAYKXZRZHI-UHFFFAOYSA-N
SMILES COC(C#N)(c1ccccc1)C(F)(F)F

 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

~%

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

2-Methoxy-2-phe...

CAS#:80866-87-1

Literature: Bulletin des Societes Chimiques Belges, , vol. 95, # 7 p. 547 - 556

~92%

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

2-Methoxy-2-phe...

CAS#:80866-87-1

Literature: Aareskjold, Kare; Liaaen-Jensen, Synnove Acta Chemica Scandinavica, Series B: Organic Chemistry and Biochemistry, 1982 , vol. 36, # 8 p. 499 - 504

 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

3,3,3-trifluoro-2-methoxy-2-phenylpropanenitrile
MFCD00001844
EINECS 279-591-4
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