1-Ethyl-3-methyl-1H-imidazol-3-ium thiocyanate

Basic Information

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CAS Number

331717-63-6

Molecular Formula

C7H11N3S

Molecular Weight

169.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

-6 °C

Refractive Index

n20/D 1.553

SMILES

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C[N+]1=CN(CC)C=C1.[S-]C#N

InChI

InChI=1S/C6H11N2.CHNS/c1-3-8-5-4-7(2)6-8;2-1-3/h4-6H,3H2,1-2H3;3H/q+1;/p-1

InChIKey

VASPYXGQVWPGAB-UHFFFAOYSA-M

LogP

0.34688

Complexity

104

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H332 Harmful if inhaled
Acute toxicity, inhalation

Hazard Class

Class 6.1 Class 6.1

Sensitiveness

Moisture Sensitive

Synonyms & References

English

1-Ethyl-3-methylimidazolium thiocyanate
1-ethyl-3-methylimidazol-3-ium,thiocyanate
[C2mim][SCN]
[EMIM][SCN]
1-ethyl-3-methyl-1H-imidazol-3-ium thiocyanate
BASIONIC VS 01
Basionics(R) VS 01
Basionics® VS 01

MDL Number

MFCD06798182

Customs Code

2933290090

FAQ

What is 1-Ethyl-3-methyl-1H-imidazol-3-ium thiocyanate (CAS: 331717-63-6)?

1-Ethyl-3-methyl-1H-imidazol-3-ium thiocyanate is an organic compound with the CAS number 331717-63-6. It is a white or light yellow crystalline powder with a molecular formula of C7H10N3S. This compound exhibits basic properties and is soluble in common organic solvents.

What are the main uses of 1-Ethyl-3-methyl-1H-imidazol-3-ium thiocyanate (CAS: 331717-63-6)?

1-Ethyl-3-methyl-1H-imidazol-3-ium thiocyanate is primarily used in pharmaceuticals as an intermediate for the synthesis of various medicinal compounds. It is also utilized in research for its chemical properties and in some industrial applications due to its reactivity.

Is 1-Ethyl-3-methyl-1H-imidazol-3-ium thiocyanate (CAS: 331717-63-6) safe?

1-Ethyl-3-methyl-1H-imidazol-3-ium thiocyanate is generally considered safe when handled with appropriate precautions. It is important to use gloves and protective eyewear to prevent contact with skin and eyes. Ensure good ventilation during handling and avoid inhalation of dust or fumes.

How should 1-Ethyl-3-methyl-1H-imidazol-3-ium thiocyanate (CAS: 331717-63-6) be stored?

1-Ethyl-3-methyl-1H-imidazol-3-ium thiocyanate should be stored in a cool, dry place away from direct sunlight and heat sources. Keep the container tightly closed to prevent moisture absorption. Use an airtight, amber glass container to minimize light exposure and protect the compound from degradation.