Thiocyanic acid, (trimethylsilyl)methyl ester

Base Information

• Chemical Name: Thiocyanic acid, (trimethylsilyl)methyl ester
• CAS No.: 18293-51-1
• Molecular Formula: C5H11 N S Si
• Molecular Weight: 145.301
• Hs Code.: 2931900090
• European Community (EC) Number: 242-167-4
• NSC Number: 601827
• DSSTox Substance ID: DTXSID7066354
• Nikkaji Number: J266.100D
• Wikidata: Q81992954
• Mol file: 18293-51-1.mol

Synonyms:trimethylsilylmethyl thiocyanate;18293-51-1;(Trimethylsilyl)methyl thiocyanate;Thiocyanic acid, (trimethylsilyl)methyl ester;Trimethylsilylmethylthiocyanate;EINECS 242-167-4;C5H11NSSi;C5-H11-N-S-Si;tri-methylsilylmethyl thiocyanate;DTXSID7066354;NSC601827;NSC-601827

Chemical Property of Thiocyanic acid, (trimethylsilyl)methyl ester

Chemical Property:

• Vapor Pressure: 1.09mmHg at 25°C
• Boiling Point: 176.6°Cat760mmHg
• Flash Point: 60.6°C
• PSA: 49.09000
• Density: 0.942g/cm³
• LogP: 2.49638
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 145.03814706
• Heavy Atom Count: 8
• Complexity: 107

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[Si](C)(C)CSC#N

Technology Process of Thiocyanic acid, (trimethylsilyl)methyl ester

There total 4 articles about Thiocyanic acid, (trimethylsilyl)methyl 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: 82.0%

ammonium thiocyanate (1147550-11-5) + Chloromethyltrimethylsilane (2344-80-1) → trimethyl(thiocyanatomethyl)silane (18293-51-1)

Guidance literature:

In ethanol; at 80 ℃; for 0.25h; Inert atmosphere;

DOI:10.1002/chem.201605946

Reference yield:

sodium thiocyanide (540-72-7) + Chloromethyltrimethylsilane (2344-80-1) → trimethyl(thiocyanatomethyl)silane (18293-51-1)

Guidance literature:

DOI:10.1021/ja01638a057

Reference yield:

potassium thioacyanate (333-20-0) + Chloromethyltrimethylsilane (2344-80-1) → trimethyl(thiocyanatomethyl)silane (18293-51-1)

Guidance literature:

DOI:10.1021/ja01616a077

upstream raw materials:

potassium thioacyanate

Chloromethyltrimethylsilane

sodium thiocyanide

ammonium thiocyanate

Downstream raw materials:

trimethylsilanyl-methanethiol