1-Carbobenzoxy-3-methylimidazolium Triflate

Basic Information

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CAS Number

163080-99-7

Molecular Formula

C13H13F3N2O5S

Molecular Weight

368.33 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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C[N+]1=CN(C=C1)C(=O)OCC2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C12H13N2O2.CHF3O3S/c1-13-7-8-14(10-13)12(15)16-9-11-5-3-2-4-6-11;2-1(3,4)8(5,6)7/h2-8,10H,9H2,1H3;(H,5,6,7)/q+1;/p-1

InChIKey

ICFSDLPZJDDPHP-UHFFFAOYSA-M

LogP

2.62970

Complexity

384

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

AGN-PC-00HM1N
1-Cbz-3-methylimidazolium Triflate
C2420
1-Cbz-3-methylimidazolium Trifluoromethanesulfonate
benzyl 3-methylimidazol-3-ium-1-carboxylate
trifluoromethanesulfonate
1-Carbobenzoxy-3-MethyliMidazoliuM TrifluoroMethanesulfonate
benzyl 3-methylimidazol-3-ium-1-carboxylate,trifluoromethanesulfonate
1-CARBOBENZOXY-3-METHYLIMIDAZOLIUM TRIFLUOROMETHANESULFONATEO
1-Benzyloxycarbonyl-3-methylimidazolium Triflate
1-Benzyloxycarbonyl-3-methylimidazolium Trifluoromethanesulfonate
1-Carbobenzoxy-3-methylimidazolium triflate
1-Carbobenzoxy-3-methylimidazolium Triflate 1-Cbz-3-methylimidazolium Trifluoromethanesulfonate 1-Cbz-3-methylimidazolium Triflate
1-((benzyloxy)carbonyl)-3-methyl-1H-imidazol-3-ium trifluoromethanesulfonate
C12H13N2O2.CF3O3S
9773AH
NE62721
benzyl 3-methylimidazol-3-ium-1-carboxylate;trifluoromethanesulfonate
3-[(benzyloxy)carbonyl]-1-methyl-1H-imidazol-3-ium trifluoromethanesulfona
1-Carbobenzoxy-3-methylimidazolium Triflate
SCHEMBL459594
163080-99-7
CS-0342157
1-Carbobenzoxy-3-methylimidazolium Trifluoromethanesulfonate
DTXSID70474476
D89515
3-[(benzyloxy)carbonyl]-1-methyl-1H-imidazol-3-ium trifluoromethanesulfonate
ICFSDLPZJDDPHP-UHFFFAOYSA-M
1-((benzyloxy)carbonyl)-3-methyl-1H-imidazol-3-iumtrifluoromethanesulfonate
SB34096
MFCD20265581

MDL Number

MFCD20265581

FAQ

What are the physical and chemical properties of 1-Carbobenzoxy-3-methylimidazolium Triflate (CAS: 163080-99-7)?

1-Carbobenzoxy-3-methylimidazolium Triflate is a solid with a crystalline form. The molecular weight is approximately 295.2 g/mol. It has good solubility in organic solvents and poor solubility in water. It is moderately reactive, showing good stability under normal conditions but can degrade under acidic or basic conditions. This compound is known for its unique electrochemical properties, making it suitable for various applications.

How is 1-Carbobenzoxy-3-methylimidazolium Triflate (CAS: 163080-99-7) typically synthesized?

1-Carbobenzoxy-3-methylimidazolium Triflate is typically synthesized through the reaction of 1-carbobenzoxy-3-methylimidazole with triflic anhydride. The reaction is conducted in a solvent such as acetonitrile at room temperature. The yield is generally good, and the product is isolated by crystallization. Catalysts are not usually required for this synthesis.

What industries use 1-Carbobenzoxy-3-methylimidazolium Triflate (CAS: 163080-99-7)?

1-Carbobenzoxy-3-methylimidazolium Triflate is used in various industries. It is particularly important in the pharmaceutical sector for its role in organic synthesis and as a proton conductor. It is also used in the polymer industry for modifying the properties of polymers. Additionally, it is utilized in sensor technology and semiconductor manufacturing due to its excellent electrochemical properties.

What precautions should be taken when handling 1-Carbobenzoxy-3-methylimidazolium Triflate (CAS: 163080-99-7)?

When handling 1-Carbobenzoxy-3-methylimidazolium Triflate, wear appropriate personal protective equipment (PPE) including gloves, safety goggles, and a lab coat. Ensure that the work is carried out in a well-ventilated area or a fume hood. Dispose of any contaminated materials according to local regulations. In case of a spill, immediately clean up using appropriate tools and materials. Always consult the safety data sheet (SDS) for detailed handling instructions.