Difluoroacetonitrile

Base Information

• Chemical Name: Difluoroacetonitrile
• CAS No.: 359-12-6
• Molecular Formula: C2HF2N
• Molecular Weight: 77.0334
• Hs Code.: 2926909090
• European Community (EC) Number: 675-550-3
• DSSTox Substance ID: DTXSID30189458
• Nikkaji Number: J643.857A
• Mol file: 359-12-6.mol

Synonyms:Difluoroacetonitrile;359-12-6;2,2-difluoroacetonitrile;Acetonitrile, difluoro-;BRN 1739025;B-384;C2HF2N;2-02-00-00185 (Beilstein Handbook Reference);Acetonitrile, difluoro-(6CI,7CI,8CI,9CI);2,2-difluoroethanenitrile;DIFLUORO ACETONITRILE;C2-H-F2-N;DTXSID30189458;MFCD01673031;AKOS006346480;FT-0693226;A823040

Chemical Property of Difluoroacetonitrile

Chemical Property:

• Vapor Pressure: 1900mmHg at 25°C
• Melting Point: 0 °C
• Refractive Index: 1.277
• Boiling Point: 0°C
• Flash Point: 0°C
• PSA: 23.79000
• Density: 1.163 g/cm³
• LogP: 0.77508
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 77.00770536
• Heavy Atom Count: 5
• Complexity: 59.3

Purity/Quality:

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

Difluoroacetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(#N)C(F)F

Technology Process of Difluoroacetonitrile

There total 4 articles about Difluoroacetonitrile 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: 88.0%

2,2-difluoroacetamide (359-38-6) → difluoroacetonitrile (359-12-6)

Guidance literature:

With pyridine; pivaloyl chloride; trifluoroacetic acid; at 60 ℃; for 3h;

Reference yield: 67.0%

sodium cyanide (773837-37-9) + Chlorodifluoromethane (75-45-6) → difluoroacetonitrile (359-12-6)

Guidance literature:

With sodium hydroxide; In water; at 20 - 95 ℃; for 2h; under 9600.96 Torr; Autoclave;

Reference yield:

acetonitrile (75-05-8,26809-02-9) → difluoroacetonitrile (359-12-6)

Guidance literature:

With cobalt (III) fluoride; at 145 ℃;

upstream raw materials:

2,2-difluoroacetamide

acetonitrile

sodium cyanide

Chlorodifluoromethane

Downstream raw materials:

cis-1,2-difluorovinylene dicyanide

Difluorfumaronitril

ethyl difluoroacetate

(Z)-diphenyl (2,2-difluoroethanimidoyl)phosphonate

Refernces

• 1、 -. "Process For Preparing Fluoroalkyl Nitriles". Page/Page column 4. . Retrieved 2010/12/29.