(5-Nitro-2-furanyl)methyl thiocyanate

Base Information

• Chemical Name: (5-Nitro-2-furanyl)methyl thiocyanate
• CAS No.: 4063-38-1
• Molecular Formula: C₆H₄N₂O₃S
• Molecular Weight: 184.175
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID90193637
• Wikidata: Q83066391
• Mol file: 4063-38-1.mol

Synonyms:4063-38-1;(5-Nitro-2-furanyl)methyl thiocyanate;Thiocyanic acid, (5-nitro-2-furanyl)methyl ester;Cyto2H5;DTXSID90193637;5-nitro-2-(thiocyanatomethyl)furan;(5-nitro-2-furyl)methyl thiocyanate;AKOS024344957

Chemical Property of (5-Nitro-2-furanyl)methyl thiocyanate

Chemical Property:

• Vapor Pressure: 5.65E-05mmHg at 25°C
• Boiling Point: 346.7°Cat760mmHg
• Flash Point: 163.5°C
• PSA: 108.05000
• Density: 1.482g/cm³
• LogP: 2.42528
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 183.99426317
• Heavy Atom Count: 12
• Complexity: 219

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(OC(=C1)[N+](=O)[O-])CSC#N

Technology Process of (5-Nitro-2-furanyl)methyl thiocyanate

There total 3 articles about (5-Nitro-2-furanyl)methyl thiocyanate 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:

5-nitro-2-furylnitromethane (66628-32-8) → 5-Nitro-2-thiocyanatomethyl-furan (4063-38-1)

Guidance literature:

With sodium thiocyanide; In acetone;

Reference yield:

5-Nitro-2-thiocyanatomethyl-furan (4063-38-1) → 2-Nitro-5-thiocyanatomethyl-furan (4063-38-1)

Guidance literature:

In 2-methyltetrahydrofuran; at -196.1 ℃; Mechanism; Irradiation;

Reference yield:

→ 5-Nitro-2-thiocyanatomethyl-furan (4063-38-1)

Guidance literature:

2-Jodmethyl-5-nitrofuran, NH4SCN;

upstream raw materials:

5-nitro-2-furylnitromethane

Refernces