3,3'-(Butane-1,4-diyl)bis(1-vinyl-3-imidazolium) Bis(trifluoromethanesulfonyl)imide

Catalog Number

ACM1312310169

CAS

1312310-16-9

IUPAC Name

bis(trifluoromethylsulfonyl)azanide;1-ethenyl-3-[4-(3-ethenylimidazol-1-ium-1-yl)butyl]imidazol-3-ium

Molecular Weight

804.61

Molecular Formula

C18H20F12N6O8S4

Canonical SMILES

C=CN1C=C[N+](=C1)CCCC[N+]2=CN(C=C2)C=C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C14H20N4.2C2F6NO4S2/c1-3-15-9-11-17(13-15)7-5-6-8-18-12-10-16(4-2)14-18;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-4,9-14H,1-2,5-8H2;;/q+2;2*-1

InChI Key

DHLTUSHCPNNNKG-UHFFFAOYSA-N

Melting Point

82 °C

Purity

>98.0%(HPLC)

Appearance

White to Almost white powder to crystal

Storage

Store under inert gas

Complexity

625

Covalently-Bonded Unit Count

3

Exact Mass

804.003384g/mol

Hazard Statements

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

Heavy Atom Count

48

MDL Number

MFCD00074843

Monoisotopic Mass

804.003384g/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

27828358

Refractive Index

1.51

• Catalog Number: ACM1312310169
• CAS: 1312310-16-9
• IUPAC Name: bis(trifluoromethylsulfonyl)azanide;1-ethenyl-3-[4-(3-ethenylimidazol-1-ium-1-yl)butyl]imidazol-3-ium
• Molecular Weight: 804.61
• Molecular Formula: C18H20F12N6O8S4
• Canonical SMILES: C=CN1C=C[N+](=C1)CCCC[N+]2=CN(C=C2)C=C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
• InChI: InChI=1S/C14H20N4.2C2F6NO4S2/c1-3-15-9-11-17(13-15)7-5-6-8-18-12-10-16(4-2)14-18;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-4,9-14H,1-2,5-8H2;;/q+2;2*-1
• InChI Key: DHLTUSHCPNNNKG-UHFFFAOYSA-N
• Melting Point: 82 °C
• Purity: >98.0%(HPLC)
• Appearance: White to Almost white powder to crystal
• Storage: Store under inert gas
• Complexity: 625
• Covalently-Bonded Unit Count: 3
• Exact Mass: 804.003384g/mol
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• Heavy Atom Count: 48
• MDL Number: MFCD00074843
• Monoisotopic Mass: 804.003384g/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: 27828358
• Refractive Index: 1.51