3-(TRIFLUOROMETHOXY)BENZONITRILE

Base Information

• Chemical Name: 3-(TRIFLUOROMETHOXY)BENZONITRILE
• CAS No.: 52771-22-9
• Molecular Formula: C₈H₄F₃NO
• Molecular Weight: 187.121
• Hs Code.: 2926909090
• Mol file: 52771-22-9.mol

Synonyms:3-(TRIFLUOROMETHOXY)BENZONITRILE;M-TRIFLUOROMETHOXY BENZONITRILE;3-(Trifluoromethoxy)benzonitrile 97%;3-(Trifluoromethoxy)benzonitrile97%;3-(Trifluormethoxy)-benzonitril;3-(TRIFLUOROMETHOXYL)BENZONITRILE;3-Cyano-alpha,alpha,alpha-trifluoroanisole;3-(TirfluoroMethoxy)benzonitrile

Chemical Property of 3-(TRIFLUOROMETHOXY)BENZONITRILE

Chemical Property:

• Appearance/Colour: clear very slightly yellow liquid
• Vapor Pressure: 1.01mmHg at 25°C
• Refractive Index: 1.4476-1.4496
• Boiling Point: 178.1 °C at 760 mmHg
• Flash Point: 61.5 °C
• PSA: 33.02000
• Density: 1.34 g/cm³
• LogP: 2.45688
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

99% ^*data from raw suppliers

3-(Trifluoromethoxy)benzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn,T,Xi
• Statements: 36/37/38-20/21/22-36
• Safety Statements: 36/37/39-26-36/37-23-9

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-(TRIFLUOROMETHOXY)BENZONITRILE

There total 8 articles about 3-(TRIFLUOROMETHOXY)BENZONITRILE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 74.0%

silver(I) trifluoromethoxide (1006904-72-8) + 3-cyanobenzenediazonium tetrafluoroborate → 1-cyano-3-trifluoromethoxybenzene (52771-22-9)

Guidance literature:

In acetonitrile; at -40 ℃; for 2h; Inert atmosphere;

Reference yield:

3-methyl-4-nitro-1-(trifluoromethoxy)-6-(trifluoromethyl)-1H-benzo[d][1,2,3]triazol-3-ium trifluoromethanesulfonate + benzonitrile (100-47-0) → 4-(trifluoromethoxy)benzonitrile (332-25-2) + 1-cyano-3-trifluoromethoxybenzene (52771-22-9) + 2-(trifluoromethoxy)benzonitrile (63968-85-4)

Guidance literature:

With tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate; In acetonitrile; at 20 ℃; for 1h; Overall yield = 54 percentSpectr.; Inert atmosphere; Flow reactor; Irradiation;

DOI:10.3762/bjoc.16.111

Reference yield:

4-cyano-1- (trifluoromethoxy)pyridin-1-ium bis((trifluoromethyl)sulfonyl)amide + benzonitrile (100-47-0) → 4-(trifluoromethoxy)benzonitrile (332-25-2) + 1-cyano-3-trifluoromethoxybenzene (52771-22-9) + 2-(trifluoromethoxy)benzonitrile (63968-85-4)

Guidance literature:

With tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate; In acetonitrile; at 20 ℃; for 1h; Overall yield = 49 %Spectr.; Sealed tube; Inert atmosphere; Irradiation;

DOI:10.1002/anie.201806296

upstream raw materials:

1-bromo-3-(trifluoromethoxy)benzene

1-[3-(trifluoromethoxy)phenyl]methanamine

benzonitrile

silver(I) trifluoromethoxide

Downstream raw materials:

N'-hydroxy-3-(trifluoromethoxy)benzenecarboximidamide

1-[3-(trifluoromethoxy)phenyl]methanamine