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| CAS No.: | 331717-63-6 |
|---|---|
| Name: | 1-Ethyl-3-methylimidazolium thiocyanate |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C7H11N3S |
| Molecular Weight: | 169.25 |
| Synonyms: | 1-ETHYL-3-METHYLIMIDAZOLIUM THIOCYANATE;EMIM SCN;BASIONIC(TM) VS 01;basionic vs 01;BASIONIC(R) VS 01;Basionics? VS 01 |
| EINECS: | 200-145-6 |
| Density: | 1.14 |
| Melting Point: | -6℃ |
| Hazard Symbols: |
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| Risk Codes: | R20/21/22;R32;R52/53 |
| Safety: | S13;S61 |
| Transport Information: | UN 2810 |
| PSA: | 32.60000 |
| LogP: | 0.34688 |
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Specification
The 1-Ethyl-3-methylimidazolium thiocyanate with cas registry number of 331717-63-6, belongs to the following product categories: (1)Chemical Synthesis; (2)Imidazolium; (3)Ionic Liquids. It has the systematic name of 1-ethyl-3-methyl-imidazol-3-ium isothiocyanate. Besides this, it is also named 1-Ethyl-3-methylimidazolium thiocyanate.
Physical properties about this chemical are: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 40.9 Å2.
When you are using this chemical, please be cautious about it as the following:
The 1-Ethyl-3-methylimidazolium thiocyanate is harmful by inhalation, in contact with skin and if swallowed. And it is harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. So keep it away from food, drink and animal foodstuffs and avoid release to the environment. Refer to special instructions / safety data sheets.
You can still convert the following datas into molecular structure:
(1)SMILES: S=C=[N-].C[n+]1ccn(CC)c1;
(2)InChI: InChI=1/C6H11N2.CNS/c1-3-8-5-4-7(2)6-8;2-1-3/h4-6H,3H2,1-2H3;/q+1;-1;
(3)InChIKey: BCWLMTYWWAJUSC-UHFFFAOYAR;
(4)Std. InChI: InChI=1S/C6H11N2.CNS/c1-3-8-5-4-7(2)6-8;2-1-3/h4-6H,3H2,1-2H3;/q+1;-1;
(5)Std. InChIKey: BCWLMTYWWAJUSC-UHFFFAOYSA-N