1,2-Dimethyl-3-propylimidazolium tris(trifluoromethylsulfonyl)methide

Catalog Number

ACM169051778-1

CAS

169051-77-8

Structure

Synonyms

DMPIMe

IUPAC Name

bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;1,2-dimethyl-3-propylimidazol-1-ium

Molecular Weight

550.44000000000005

Molecular Formula

C12H15F9N2O6S3

Canonical SMILES

CCCN1C=C[N+](=C1C)C.[C-](S(=O)(=O)C(F)(F)F)(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F

InChI

1S/C8H15N2.C4F9O6S3/c1-4-5-10-7-6-9(3)8(10)2;5-2(6,7)20(14,15)1(21(16,17)3(8,9)10)22(18,19)4(11,12)13/h6-7H,4-5H2,1-3H3;/q+1;-1

InChI Key

LUWJQOLQUXTUGM-UHFFFAOYSA-N

Melting Point

15 °C (lit.)

Flash Point

Not applicable

Purity

≥97.0%(HPLC)

Appearance

powder

Storage

−20°C

Complexity

715

Covalently-Bonded Unit Count

2

Empirical Formula

C12H15F9N2O6S3

Exact Mass

549.994853g/mol

Heavy Atom Count

32

MDL Number

MFCD03788923

Monoisotopic Mass

549.994853g/mol

Refractive Index

n20/D 1.433

• Catalog Number: ACM169051778-1
• CAS: 169051-77-8
• Synonyms: DMPIMe
• IUPAC Name: bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;1,2-dimethyl-3-propylimidazol-1-ium
• Molecular Weight: 550.44000000000005
• Molecular Formula: C12H15F9N2O6S3
• Canonical SMILES: CCCN1C=C[N+](=C1C)C.[C-](S(=O)(=O)C(F)(F)F)(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
• InChI: 1S/C8H15N2.C4F9O6S3/c1-4-5-10-7-6-9(3)8(10)2;5-2(6,7)20(14,15)1(21(16,17)3(8,9)10)22(18,19)4(11,12)13/h6-7H,4-5H2,1-3H3;/q+1;-1
• InChI Key: LUWJQOLQUXTUGM-UHFFFAOYSA-N
• Melting Point: 15 °C (lit.)
• Flash Point: Not applicable
• Purity: ≥97.0%(HPLC)
• Appearance: powder
• Storage: −20°C
• Complexity: 715
• Covalently-Bonded Unit Count: 2
• Empirical Formula: C12H15F9N2O6S3
• Exact Mass: 549.994853g/mol
• Heavy Atom Count: 32
• MDL Number: MFCD03788923
• Monoisotopic Mass: 549.994853g/mol
• Refractive Index: n20/D 1.433