4-Fluorobutyl thiocyanate

Base Information

• Chemical Name: 4-Fluorobutyl thiocyanate
• CAS No.: 353-17-3
• Molecular Formula: C5H8FNS
• Molecular Weight: 133.20
• DSSTox Substance ID: DTXSID30188800
• Nikkaji Number: J48.846A
• Wikidata: Q83060648
• Mol file: 353-17-3.mol

Synonyms:4-Fluorobutyl thiocyanate;353-17-3;Thiocyanic acid, 4-fluorobutyl ester;BRN 1746871;THIOCYANIC ACID 4-FLUOROBUTYL ESTER;C5H8FNS;C5-H8-F-N-S;DTXSID30188800;LS-152691

Chemical Property of 4-Fluorobutyl thiocyanate

Chemical Property:

• Vapor Pressure: 0.19mmHg at 25°C
• Boiling Point: 210.7°Cat760mmHg
• Flash Point: 81.2°C
• Density: 1.075g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 133.03614860
• Heavy Atom Count: 8
• Complexity: 85.7

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCSC#N)CF

Technology Process of 4-Fluorobutyl thiocyanate

There total 2 articles about 4-Fluorobutyl 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:

4-bromo-1-fluorobutane (462-72-6) + potassium thioacyanate (333-20-0) → 4-fluoro-butyl thiocyanate (353-17-3)

Guidance literature:

With ethanol;

DOI:10.1021/ja01596a078

Reference yield:

nitric acid-(4-fluoro-butyl ester) (373-10-4) + potassium thioacyanate (333-20-0) → 4-fluoro-butyl thiocyanate (353-17-3)

Guidance literature:

With ethanol;

DOI:10.1139/v56-116

Reference yield:

4-fluoro-butyl thiocyanate (353-17-3) → 4-fluorobutanesulfonyl chloride (372-00-9)

Guidance literature:

With water; chlorine;

DOI:10.1021/ja01596a079

upstream raw materials:

nitric acid-(4-fluoro-butyl ester)

potassium thioacyanate

4-bromo-1-fluorobutane

Downstream raw materials:

4-fluorobutanesulfonyl chloride