Methyl thiocyanate

Base Information

• Chemical Name: Methyl thiocyanate
• CAS No.: 556-64-9
• Deprecated CAS: 1800084-80-3
• Molecular Formula: C2H3 N S
• Molecular Weight: 73.1185
• Hs Code.: 29309099
• European Community (EC) Number: 209-134-6
• NSC Number: 9368
• UN Number: 2929,1935
• UNII: 55I23VY6IE
• DSSTox Substance ID: DTXSID5060304
• Nikkaji Number: J3.296D
• Wikipedia: Methyl_thiocyanate
• Wikidata: Q5928515
• Metabolomics Workbench ID: 61466
• Mol file: 556-64-9.mol

Synonyms:methyl thiocyanate

Chemical Property of Methyl thiocyanate

Chemical Property:

• Appearance/Colour: CLEAR COLOURLESS TO LIGHT YELLOW LIQUID
• Vapor Pressure: 13.6mmHg at 25°C
• Melting Point: -5 ºC
• Refractive Index: 1.467-1.469
• Boiling Point: 131 ºC
• Flash Point: 38 ºC
• PSA: 49.09000
• Density: 1.06
• LogP: 0.83048
• Storage Temp.: Poison room
• Sensitive.: Moisture Sensitive
• Water Solubility.: Practically insoluble in water
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 72.99862027
• Heavy Atom Count: 4
• Complexity: 41.2
• Transport DOT Label: Poison Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

Methyl Thiocyanate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 23/24/25-10-36/37
• Safety Statements: 28A-27-26-16-45-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Other Insecticides
• Canonical SMILES: CSC#N

Technology Process of Methyl thiocyanate

There total 55 articles about Methyl 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: 88.0%

potassium thioacyanate (333-20-0) + methyl iodide (74-88-4) → methyl thiocyanate (556-64-9)

Guidance literature:

With poly(vinylbenzyltriphenylphosphonium chloride); In benzene; for 2h; Heating;

Reference yield: 80.0%

dimethyl phosphoroisothiocyanatidite (75532-40-0) + dimethylglyoxal (431-03-8) → methyl thiocyanate (556-64-9) + 2-methoxy-4,5-dimethyl-[1,3,2]dioxaphosphole 2-oxide (933-43-7)

Guidance literature:

In dichloromethane; at 0 ℃;

Reference yield: 64.0%

6-methyl-4-oxo-2-thioxo-3,4-dihydro-2H-1,3-oxazine (2911-22-0) + methyl iodide (74-88-4) → methyl thiocyanate (556-64-9)

Guidance literature:

With potassium carbonate; In acetone; for 1h; Ambient temperature;

upstream raw materials:

diazomethane

thiocyanic acid

methanol

p-nitrophenyldimethylsulphonium methylsulphate

Downstream raw materials:

N-Benzoylamino-dithiokohlensaeuremethylester

O,O,S-trimethyl phosphorothioate

acetyl dithiocarbamic acid methyl ester

(4-bromo-benzoyl)-dithiocarbamic acid methyl ester

Refernces

• 1、 Jaworski. "Nonequilibrium solvent polarization in kinetics of SN2 reactions". . p. 61 - 66. Retrieved 2003.
• 2、 D'Ulivo, Alessandro,Pagliano, Enea,Onor, Massimo,Pitzalis, Emanuela,Zamboni, Roberto. "Vapor generation of inorganic anionic species after aqueous phase alkylation with trialkyloxonium tetrafluoroborates". experimental part. p. 6399 - 6406. Retrieved 2010/04/06.
• 3、 Crowhurst, Lorna,Falcone, Ruben,Lancaster, N. Llewellyn,Llopis-Mestre, Veronica,Welton, Tom. "Using Kamlet-Taft solvent descriptors to explain the reactivity of anionic nucleophiles in ionic liquids". . p. 8847 - 8853. Retrieved 2007/10/03.