2-Amino-4-(3,4-dichlorophenyl)thiophene-3-carbonitrile

Base Information

• Chemical Name: 2-Amino-4-(3,4-dichlorophenyl)thiophene-3-carbonitrile
• CAS No.: 861407-95-6
• Molecular Formula: C11H6 Cl2 N2 S
• Molecular Weight: 269.15
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70397555
• Nikkaji Number: J2.989.047A
• Wikidata: Q82199008
• Mol file: 861407-95-6.mol

Synonyms:2-amino-4-(3,4-dichlorophenyl)thiophene-3-carbonitrile;861407-95-6;AKOS B014660;DTXSID70397555;BBL017854;MFCD02854972;STK487794;AKOS000305082;CCG-324243;VS-06548;BB 0249812;CS-0317075;4-(3,4-Dichlorophenyl)-2-aminothiophene-3-carbonitrile;2-Amino-4-(3,4-dichloro-phenyl)-thiophene-3 -carbonitrile

Chemical Property of 2-Amino-4-(3,4-dichlorophenyl)thiophene-3-carbonitrile

Chemical Property:

• Vapor Pressure: 2.2E-08mmHg at 25°C
• Refractive Index: 1.693
• Boiling Point: 452.7°C at 760 mmHg
• Flash Point: 227.6°C
• PSA: 78.05000
• Density: 1.53g/cm³
• LogP: 4.75698
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 267.9628748
• Heavy Atom Count: 16
• Complexity: 304

Purity/Quality:

98%min ^*data from raw suppliers

2-Amino-4-(3,4-dichlorophenyl)thiophene-3-carbonitrile ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C2=CSC(=C2C#N)N)Cl)Cl

Technology Process of 2-Amino-4-(3,4-dichlorophenyl)thiophene-3-carbonitrile

There total 1 articles about 2-Amino-4-(3,4-dichlorophenyl)thiophene-3-carbonitrile 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:

3',4'-dichloroacetophenone (2642-63-9) + malononitrile (109-77-3) → 2-amino-4-(3,4-dichlorophenyl)thiophene-3-carbonitrile (861407-95-6)

Guidance literature:

With 1H-imidazole; sulfur; In N,N-dimethyl-formamide; at 60 ℃; for 17h; Inert atmosphere;

DOI:10.1016/j.tet.2011.06.061

upstream raw materials:

3',4'-dichloroacetophenone

malononitrile