Benzyl(ethyl)dimethylammonium Bis(trifluoromethanesulfonyl)imide
Catalog Number
ACM1186103434-1
CAS
1186103-43-4
IUPAC Name
benzyl-ethyl-dimethylazanium;bis(trifluoromethylsulfonyl)azanide
Molecular Weight
444.41
Molecular Formula
C13H18F6N2O4S2
Product Information
Canonical SMILES
CC[N+](C)(C)CC1=CC=CC=C1.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
Inchi
InChI=1S/C11H18N.C2F6NO4S2/c1-4-12(2,3)10-11-8-6-5-7-9-11;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-9H,4,10H2,1-3H3;/q+1;-1
InChIKey
IGABCHQKFATAOI-UHFFFAOYSA-N
Melting Point
70 °C
Purity
>98.0%(T)(HPLC)
Appearance
Colorless to Almost colorless clear liquid
storage
Store under inert gas
Complexity
497
Condition To Avoid
Hygroscopic
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
27
MDL Number
MFCD00011635
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 Registry Number
3571227
Refractive Index
1.46
Rotatable Bond Count
5
Signal Word
Warning
Specific Gravity
1.43
Monoisotopic Mass
444.061218g/mol
Exact Mass
444.061218g/mol
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