1-Decyl-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide

Catalog Number

ACM433337236-1

CAS

433337-23-6

Synonyms

3-​decyl-​1-​methyl-1H-​Imidazolium salt with 1,​1,​1-​trifluoro-​N-​[(trifluoromethyl)​sulfonyl]​methanesulfonamide; 1-decyl-3-methyl-1H-Imidazolium salt with 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide; 1-Decyl-3-methylimidazolium N,N-bis(trifluoromethylsulfonyl)amide; 1-Decyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide; 1-Decyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide; 1-Decyl-3-methylimidazolium bis(triflyl)imide; 1-n-Decyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide

IUPAC Name

bis(trifluoromethylsulfonyl)azanide;1-decyl-3-methylimidazol-3-ium

Molecular Weight

503.52

Molecular Formula

C16H27F6N3O4S2

Canonical SMILES

CCCCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

InChI

1S/C14H27N2.C2F6NO4S2/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h12-14H,3-11H2,1-2H3;/q+1;-1

InChI Key

ZYVGZWFCGPUVSH-UHFFFAOYSA-N

Melting Point

-19 °C

Purity

>98.0%(T)(HPLC)

Appearance

Colorless to Light orange to Yellow clear liquid

Application

1-Decyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide is an organic, ionic liquid solvent used in various reactions, such as those with molybdenum(II) complexes with α-​diimines, where it helps control chemoselectivity.

Storage

Store under inert gas

Complexity

533

Covalently-Bonded Unit Count

2

Exact Mass

503.134718g/mol

Hazard Statements

H315 : Causes skin irritation.H319 : Causes serious eye irritation.

Heavy Atom Count

31

MDL Number

MFCD12022376

Monoisotopic Mass

503.134718g/mol

Precautionary Statements

P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.

REAXYS Number

9603927

References

Saraiva, M. S.; et al.: Eur. J. Inorg. Chem., 2018, 35 (2018).

Refractive Index

1.44

• Catalog Number: ACM433337236-1
• CAS: 433337-23-6
• Synonyms: 3-​decyl-​1-​methyl-1H-​Imidazolium salt with 1,​1,​1-​trifluoro-​N-​[(trifluoromethyl)​sulfonyl]​methanesulfonamide; 1-decyl-3-methyl-1H-Imidazolium salt with 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide; 1-Decyl-3-methylimidazolium N,N-bis(trifluoromethylsulfonyl)amide; 1-Decyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide; 1-Decyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide; 1-Decyl-3-methylimidazolium bis(triflyl)imide; 1-n-Decyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide
• IUPAC Name: bis(trifluoromethylsulfonyl)azanide;1-decyl-3-methylimidazol-3-ium
• Molecular Weight: 503.52
• Molecular Formula: C16H27F6N3O4S2
• Canonical SMILES: CCCCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
• InChI: 1S/C14H27N2.C2F6NO4S2/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h12-14H,3-11H2,1-2H3;/q+1;-1
• InChI Key: ZYVGZWFCGPUVSH-UHFFFAOYSA-N
• Melting Point: -19 °C
• Purity: >98.0%(T)(HPLC)
• Appearance: Colorless to Light orange to Yellow clear liquid
• Application: 1-Decyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide is an organic, ionic liquid solvent used in various reactions, such as those with molybdenum(II) complexes with α-​diimines, where it helps control chemoselectivity.
• Storage: Store under inert gas
• Complexity: 533
• Covalently-Bonded Unit Count: 2
• Exact Mass: 503.134718g/mol
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• Heavy Atom Count: 31
• MDL Number: MFCD12022376
• Monoisotopic Mass: 503.134718g/mol
• Precautionary Statements: P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
• REAXYS Number: 9603927
• References: Saraiva, M. S.; et al.: Eur. J. Inorg. Chem., 2018, 35 (2018).
• Refractive Index: 1.44