1-Ethyl-3-methylimidazolium p-Toluenesulfonate
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Basic information
- CAS
328090-25-1- Standard SMILES
CCn1cc[n+](C)c1.Cc1ccc(S(=O)(=O)[O-])cc1- InChIKey
HXMUPILCYSJMLQ-UHFFFAOYSA-M- Molecular formula
- C13H18N2O3S
- Average molar mass
- 282.36 g/mol
- Monoisotopic mass
- 282.10381361
Names & identifiers
- Preferred name
- 1-Ethyl-3-methylimidazolium p-Toluenesulfonate
- IUPAC
- 1-ethyl-3-methylimidazol-3-ium;4-methylbenzenesulfonate
- English name
- 1-ETHYL-3-METHYLIMIDAZOLIUM P-TOLUENESULFONATE
- Molecular formula
- C13H18N2O3S
- Molecular weight
- 282.36
Names & synonyms
1-Ethyl-3-methylimidazolium p-ToluenesulfonateRefChem:432487680-026-2328090-25-11-Ethyl-3-methyl-1H-imidazol-3-ium 4-methylbenzenesulfonate1-Ethyl-3-methylimidazolium tosylateMFCD03788929DTXSID60492701-Ethyl-3-methyl-3-imidazolium 4-Methylbenzenesulfonate1-ethyl-3-methylimidazol-3-ium;4-methylbenzenesulfonate1-ethyl-3-methyl-1H-imidazol-3-ium 4-methylbenzene-1-sulfonate1-ethyl-3-methylimidazolium p-toluene sulfonate
Show more names
SKL1433[EMIM]TS[EMIm] TsO[emim][tos]1-ETHYL-3-METHYLIMIDAZOLIUM P-TOLUENSULFONATE1-Ethyl-3-methylmidazolium p-Toluenesulfonate1-Ethyl-3-methylimidazolium tosylate≥ 98%(HPLC)1-Ethyl-3-MethyliMidazoliuM tosylate [EMIM] [TOS]
1-Ethyl-3-methyl-1H-imidazol-3-ium4-methylbenzenesulfonateAS-810961-Ethyl-3-methylimidazolium tosylate, >=98.0% (HPLC)1-Ethyl-3-MethylimidazoliumP-ToluenesulfonateFT-0741677SCHEMBL52072SCHEMBL520731-ethyl-3-methylimidazol-3-ium,4-methylbenzenesulfonate
Database identifiers
- CAS
328090-25-1- PubChem CID
- 10636633
- DTXSID
DTXSID6049270- ChEMBL
CHEMBL3561589- EC Number
- 680-026-2
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 74.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Melting point
- 25 · 25-35 °C
- Density
- 1.231 g/mL · 1.231 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.548
- storage temp.
- Inert atmosphere,Room Temperature
- Water Solubility
- Soluble in water
- form
- solid
- color
- off-white
- Viscosity
- 5214 cP · 5214 cP (20 °C)
- Stability
- hygroscopic
- InChI
- 1S/C7H8O3S.C6H11N2/c1-6-2-4-7(5-3-6)11(8,9)10;1-3-8-5-4-7(2)6-8/h2-5H,1H3,(H,8,9,10);4-6H,3H2,1-2H3/q;+1/p-1
- InChIKey
- HXMUPILCYSJMLQ-UHFFFAOYSA-M
- SMILES
- CCn1cc[n+](C)c1.Cc2ccc(cc2)S([O-])(=O)=O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 10-21
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 2933.29.4300
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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