[(2-Fluoroanilino)(methylsulfanyl)methylidene]propanedinitrile

Base Information

• Chemical Name: [(2-Fluoroanilino)(methylsulfanyl)methylidene]propanedinitrile
• CAS No.: 6926-43-8
• Molecular Formula: C11H8FN3S
• Molecular Weight: 224.144
• DSSTox Substance ID: DTXSID70410031
• Mol file: 6926-43-8.mol

Synonyms:6926-43-8;DTXSID70410031;[(2-Fluoroanilino)(methylsulfanyl)methylidene]propanedinitrile

Chemical Property of [(2-Fluoroanilino)(methylsulfanyl)methylidene]propanedinitrile

Chemical Property:

• Vapor Pressure: 0.000225mmHg at 25°C
• Boiling Point: 325.8°Cat760mmHg
• Flash Point: 150.9°C
• Density: 1.347g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 233.04229660
• Heavy Atom Count: 16
• Complexity: 355

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CSC(=C(C#N)C#N)NC1=CC=CC=C1F

Technology Process of [(2-Fluoroanilino)(methylsulfanyl)methylidene]propanedinitrile

There total 7 articles about [(2-Fluoroanilino)(methylsulfanyl)methylidene]propanedinitrile 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: 85.0%

N,N,N',N',N'',N''-Hexamethylguanidiniumcyanid (68897-45-0) + ethylene dibromide (106-93-4) → butanedinitrile (110-61-2) + 1,1,2,2,3,3-Hexamethylguanidiniumbromid (6926-43-8)

Guidance literature:

In dichloromethane; at 20 ℃; for 2h;

Reference yield: 78.0%

ethyl bromide (74-96-4) + N,N,N',N',N'',N''-Hexamethylguanidiniumcyanid (68897-45-0) → 1,1,2,2,3,3-Hexamethylguanidiniumbromid (6926-43-8) + propiononitrile (107-12-0)

Guidance literature:

In dichloromethane; at 20 ℃; for 2h;

Reference yield: 78.0%

1,4-dibromo-butane (110-52-1) + N,N,N',N',N'',N''-Hexamethylguanidiniumcyanid (68897-45-0) → hexanedinitrile (111-69-3) + 1,1,2,2,3,3-Hexamethylguanidiniumbromid (6926-43-8)

Guidance literature:

In dichloromethane; at 20 ℃; for 2h;

upstream raw materials:

1,4-dibromo-butane

N,N,N',N',N'',N''-Hexamethylguanidiniumcyanid

1-bromo-butane

ethyl bromide