Chloromethyl trifluoromethyl sulfide

Base Information

• Chemical Name: Chloromethyl trifluoromethyl sulfide
• CAS No.: 460-58-2
• Molecular Formula: C2H2ClF3S
• Molecular Weight: 150.552
• Hs Code.: 2930909090
• European Community (EC) Number: 623-003-4
• DSSTox Substance ID: DTXSID20392757
• Nikkaji Number: J540.841E
• Wikidata: Q82191148
• Mol file: 460-58-2.mol

Synonyms:Chloromethyl trifluoromethyl sulfide;460-58-2;chloromethylsulfanyl(trifluoro)methane;SCHEMBL190350;trifluoromethylthiomethyl chloride;DTXSID20392757;Chloromethyl(trifluoromethyl) sulfide;MFCD00075301;AKOS006221687;Chloromethyl trifluoromethyl sulfide, technical grade, 90%

Chemical Property of Chloromethyl trifluoromethyl sulfide

Chemical Property:

• Vapor Pressure: 177mmHg at 25°C
• Refractive Index: n20/D 1.3818(lit.)
• Boiling Point: 64.3 °C at 760 mmHg
• Flash Point: 34 °F
• PSA: 25.30000
• Density: 1.457 g/cm³
• LogP: 2.43570
• Storage Temp.: 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 149.9517834
• Heavy Atom Count: 7
• Complexity: 51.4

Purity/Quality:

98%,99%, ^*data from raw suppliers

Chloromethyltrifluoromethyl sulfide 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F;C
• Hazard Codes: F,C
• Statements: 11-34
• Safety Statements: 16-26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(SC(F)(F)F)Cl
• Uses: Chloromethyl trifluoromethyl sulfide may be used in chemical synthesis.

Technology Process of Chloromethyl trifluoromethyl sulfide

There total 2 articles about Chloromethyl trifluoromethyl sulfide 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:

chloromethyl-trichloromethyl sulfide (1454-96-2) → chloromethyl-trifluoromethyl sulfide (460-58-2)

Guidance literature:

With hydrogen fluoride;

Reference yield:

chloromethyl-(dichloro-fluoro-methyl)-sulfide (460-56-0) → chloromethyl-trifluoromethyl sulfide (460-58-2)

Guidance literature:

With antimony(III) fluoride; at 160 ℃;

Reference yield: 46.0%

2-(3,4-dichlorobenzyl)-malononitrile (474759-80-3) + chloromethyl-trifluoromethyl sulfide (460-58-2) → 2-(3,4-dichloro-benzyl)-2-trifluoromethylsulfanylmethyl-malononitrile

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 - 25 ℃; for 12h;

upstream raw materials:

chloromethyl-(dichloro-fluoro-methyl)-sulfide

chloromethyl-trichloromethyl sulfide

Downstream raw materials:

Trifluormethylmercaptomethylmercapto-benzol

4-Chlor-1-trifluormethylmercaptomethylmercapto-benzol

4-Nitro-1-trifluormethylmercapto-methylmercapto-benzol

1,2-Dichloro-4-trifluoromethylsulfanylmethylsulfanyl-benzene