1-Ethyl-3-methylimidazolium thiocyanate

Base Information

• Chemical Name: 1-Ethyl-3-methylimidazolium thiocyanate
• CAS No.: 331717-63-6
• Molecular Formula: C7H11N3S
• Molecular Weight: 169.25
• Hs Code.: 2933 29 90
• European Community (EC) Number: 628-857-1
• UNII: 7RTN2LW9AG
• ChEMBL ID: CHEMBL3183790
• DSSTox Substance ID: DTXSID4047884
• Mol file: 331717-63-6.mol

Synonyms:1-Ethyl-3-methylimidazolium thiocyanate;331717-63-6;1-Ethyl-3-methyl-1H-imidazol-3-ium thiocyanate;1-ethyl-3-methylimidazol-3-ium;thiocyanate;DTXSID4047884;3-Ethyl-1-methyl-1H-imidazol-3-ium thiocyanate;7RTN2LW9AG;SCHEMBL294220;CHEMBL3183790;DTXCID4027860;Tox21_200547;MFCD06798182;AKOS015898437;AKOS025394634;CS-W010787;1-methyl-3-ethylimidazolium thiocyanate;NCGC00248741-01;NCGC00258101-01;AS-46676;1-ethyl-3-methyl imidazolium thio-cyanate;1-Ethyl-3-Methylimidazolium Thiocyanate (T);CAS-331717-63-6;E0776;1-Ethyl-3-methyl-1H-imidazol-3-iumthiocyanate;E10137;1H-Imidazolium, 1-ethyl-3-methyl-, thiocyanate;1H-Imidazolium, 3-ethyl-1-methyl-, thiocyanate (1:1);1-Ethyl-3-methylimidazolium thiocyanate, >=95% (H-NMR, HPLC);1-Ethyl-3-methylimidazolium thiocyanate, for electrochemistry, >=99.0% (T)

Chemical Property of 1-Ethyl-3-methylimidazolium thiocyanate

Chemical Property:

• Melting Point: -6℃
• Refractive Index: n20/D 1.553
• PSA: 32.60000
• Density: 1.14
• LogP: 0.34688
• Storage Temp.: Store below +30°C.
• Sensitive.: Moisture Sensitive
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 169.06736854
• Heavy Atom Count: 11
• Complexity: 104

Purity/Quality:

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

1-Ethyl-3-methylimidazolium thiocyanate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,N
• Statements: 20/21/22-32-52/53-52
• Safety Statements: 13-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C=C[N+](=C1)C.C(#N)[S-]
• Uses: It is used as a pharmaceutical intermediate and also used as primary and secondary intermediate.

Technology Process of 1-Ethyl-3-methylimidazolium thiocyanate

There total 2 articles about 1-Ethyl-3-methylimidazolium 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:

3-ethyl-1-methyl-1H-imidazol-3-ium bromide (65039-08-9) → 1-ethyl-3-methylimidazolium thiocyanate (331717-63-6)

Guidance literature:

With ammonium thiocyanate; In acetonitrile; for 8h;

DOI:10.1007/s11426-012-4635-5

Reference yield:

potassium thioacyanate (333-20-0) + 3-ethyl-1-methyl-1H-imidazol-3-ium bromide (65039-08-9) → 1-ethyl-3-methylimidazolium thiocyanate (331717-63-6)

Guidance literature:

In dichloromethane; at 20 ℃; for 24h;

DOI:10.1002/ejic.201500870

upstream raw materials:

3-ethyl-1-methyl-1H-imidazol-3-ium bromide

potassium thioacyanate

Refernces

• 1、 Yu, Ying Hao,Jiang, Peng,Wang, Fu Rong,Wang, Le Fu,Li, Xue Hui. "Composite electrolytes based on poly(ethylene oxide) and binary ionic liquids for dye-sensitized solar cells". . p. 1608 - 1613. Retrieved 2012.