1-Methyl-3-propylimidazolium Bis(trifluoromethanesulfonyl)imide

Catalog Number

ACM216299728-2

CAS

216299-72-8

Structure

IUPAC Name

bis(trifluoromethylsulfonyl)azanide;1-methyl-3-propylimidazol-1-ium

Molecular Weight

405.33

Molecular Formula

C9H13F6N3O4S2

Canonical SMILES

CCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

InChI

1S/C7H13N2.C2F6NO4S2/c1-3-4-9-6-5-8(2)7-9;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-7H,3-4H2,1-2H3;/q+1;-1

InChI Key

CDWUIWLQQDTHRA-UHFFFAOYSA-N

Boiling Point

>350 °C (lit.)

Melting Point

25-35 °C

Purity

>98.0%(T)(HPLC)

Appearance

Colorless to Light yellow to Light orange clear liquid

Storage

Store under inert gas

Complexity

457

Covalently-Bonded Unit Count

2

Exact Mass

405.025167g/mol

Hazard Statements

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

Heavy Atom Count

24

MDL Number

MFCD15071469

Monoisotopic Mass

405.025167g/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

9675704

Refractive Index

n20/D 1.406

• Catalog Number: ACM216299728-2
• CAS: 216299-72-8
• IUPAC Name: bis(trifluoromethylsulfonyl)azanide;1-methyl-3-propylimidazol-1-ium
• Molecular Weight: 405.33
• Molecular Formula: C9H13F6N3O4S2
• Canonical SMILES: CCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
• InChI: 1S/C7H13N2.C2F6NO4S2/c1-3-4-9-6-5-8(2)7-9;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-7H,3-4H2,1-2H3;/q+1;-1
• InChI Key: CDWUIWLQQDTHRA-UHFFFAOYSA-N
• Boiling Point: >350 °C (lit.)
• Melting Point: 25-35 °C
• Purity: >98.0%(T)(HPLC)
• Appearance: Colorless to Light yellow to Light orange clear liquid
• Storage: Store under inert gas
• Complexity: 457
• Covalently-Bonded Unit Count: 2
• Exact Mass: 405.025167g/mol
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• Heavy Atom Count: 24
• MDL Number: MFCD15071469
• Monoisotopic Mass: 405.025167g/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: 9675704
• Refractive Index: n20/D 1.406