Isothiocyanic acid, 5-fluoropentyl ester

Base Information

• Chemical Name: Isothiocyanic acid, 5-fluoropentyl ester
• CAS No.: 1536-80-7
• Molecular Formula: C₆H₁₀FNS
• Molecular Weight: 147.217
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID80165368
• Nikkaji Number: J40.605H
• Mol file: 1536-80-7.mol

Synonyms:1536-80-7;1-fluoro-5-isothiocyanatopentane;ISOTHIOCYANIC ACID, 5-FLUOROPENTYL ESTER;5-Fluoroamyl isothiocyanate;BRN 1756483;5-Fluoropentyl isothiocyanate;DTXSID80165368;LS-86419

Chemical Property of Isothiocyanic acid, 5-fluoropentyl ester

Chemical Property:

• Vapor Pressure: 0.2mmHg at 25°C
• Boiling Point: 216.9°Cat760mmHg
• Flash Point: 85°C
• PSA: 44.45000
• Density: 1.01g/cm³
• LogP: 2.22900
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 147.05179866
• Heavy Atom Count: 9
• Complexity: 99.2

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCN=C=S)CCF

Technology Process of Isothiocyanic acid, 5-fluoropentyl ester

There total 1 articles about Isothiocyanic acid, 5-fluoropentyl ester 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:

carbon disulfide (75-15-0,12122-00-8) + 5-fluoropentylamine (592-79-0) → 5-fluoro-pentyl isothiocyanate (1536-80-7)

Guidance literature:

With sodium hydroxide; Behandeln der Reaktionsloesung mit Chlorokohlensaeure-aethylester;

DOI:10.1021/ja01565a052

upstream raw materials:

carbon disulfide

5-fluoropentylamine