2-(Difluoromethoxy)benzonitrile

Base Information

• Chemical Name: 2-(Difluoromethoxy)benzonitrile
• CAS No.: 56935-78-5
• Molecular Formula: C8H5F2NO
• Molecular Weight: 169.13
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID50378887
• Nikkaji Number: J3.330.483H
• Wikidata: Q72463239

Synonyms:2-(difluoromethoxy)benzonitrile;56935-78-5;MFCD00221469;SCHEMBL8013768;DTXSID50378887;PLTPHQGNJHSBBR-UHFFFAOYSA-N;CK2145;STK349499;AKOS000309347;DS-5137;SB85450;AC-28561;SY104125;CS-0031437;FT-0608780;EN300-91368;A831243;Z336079722

Chemical Property of 2-(Difluoromethoxy)benzonitrile

Chemical Property:

• Vapor Pressure: 0.0334mmHg at 25°C
• Refractive Index: 1.478
• Boiling Point: 242.7 °C at 760 mmHg
• Flash Point: 100.6 °C
• PSA: 33.02000
• Density: 1.26 g/cm³
• LogP: 2.15968
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 169.03392011
• Heavy Atom Count: 12
• Complexity: 187

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(Difluoromethoxy)benzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C#N)OC(F)F

Technology Process of 2-(Difluoromethoxy)benzonitrile

There total 2 articles about 2-(Difluoromethoxy)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: 91.0%

salicylonitrile (611-20-1) + [bromo(difluoro)methyl]-trimethyl-silane (115262-01-6) → 2-(difluoromethoxy)benzonitrile (56935-78-5)

Guidance literature:

With potassium hydroxide; In dichloromethane; water; at 0 ℃; for 0.5h;

DOI:10.1002/anie.201306703

Reference yield: 52.0%

salicylonitrile (611-20-1) + [Cu(1,10-phenanthroline)2][O2CCF2Cl] → 2-(difluoromethoxy)benzonitrile (56935-78-5)

Guidance literature:

With sodium hydroxide; phenol; In N,N-dimethyl-formamide; at 75 ℃; for 4h; Sealed tube; Inert atmosphere;

DOI:10.1002/chem.201504306

upstream raw materials:

salicylonitrile

[bromo(difluoro)methyl]-trimethyl-silane

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