1,1-Dichloro-2-oxo-2-p-tolylethyl thiocyanate

Base Information

• Chemical Name: 1,1-Dichloro-2-oxo-2-p-tolylethyl thiocyanate
• CAS No.: 58077-61-5
• Molecular Formula: C10H7 Cl2 N O S
• Molecular Weight: 260.144
• European Community (EC) Number: 261-101-5
• DSSTox Substance ID: DTXSID10206798
• Nikkaji Number: J296.862B
• Wikidata: Q83080653
• Mol file: 58077-61-5.mol

Synonyms:1,1-Dichloro-2-oxo-2-p-tolylethyl thiocyanate;58077-61-5;EINECS 261-101-5;C10H7Cl2NOS;SCHEMBL11436453;C10-H7-Cl2-N-O-S;DTXSID10206798;Thiocyanic acid 1,1-dichloro-2-(4-methylphenyl)-2-oxoethyl ester

Chemical Property of 1,1-Dichloro-2-oxo-2-p-tolylethyl thiocyanate

Chemical Property:

• Vapor Pressure: 1.09E-05mmHg at 25°C
• Boiling Point: 370.6°C at 760 mmHg
• Flash Point: 178°C
• PSA: 66.16000
• Density: 1.414g/cm³
• LogP: 3.52338
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 258.9625404
• Heavy Atom Count: 15
• Complexity: 289

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)C(SC#N)(Cl)Cl

Technology Process of 1,1-Dichloro-2-oxo-2-p-tolylethyl thiocyanate

There total 2 articles about 1,1-Dichloro-2-oxo-2-p-tolylethyl 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:

2-thiocyanato-1-(4-tolyl)ethanone (6097-27-4) → 1,1-dichloro-2-oxo-2-p-tolylethyl thiocyanate (58077-61-5)

Guidance literature:

With sodium acetate; chlorine; In acetic acid;

Reference yield:

→ 1,1-dichloro-2-oxo-2-p-tolylethyl thiocyanate (58077-61-5)

Guidance literature:

aus 4-Methylphenacylrhodanid m. Chlor (S.8);

upstream raw materials:

2-thiocyanato-1-(4-tolyl)ethanone

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