Basic information
- CAS
55526-60-8- Standard SMILES
CCn1c(C)[n+](CC)c2ccc(S(=O)(=O)C(F)(F)F)cc21.[I-]- InChIKey
JLQSCXOLKZYSNR-UHFFFAOYSA-M- Molecular formula
- C13H16F3IN2O2S
- Average molar mass
- 448.25 g/mol
- Monoisotopic mass
- 447.99293
Names & identifiers
- Preferred name
- 1,3-Diethyl-2-ME-5-(trifluoro-methanesulfonyl)-3H-benzoimidazol-1-ium, iodide
- IUPAC
- 1,3-diethyl-2-methyl-5-(trifluoromethylsulfonyl)benzimidazol-1-ium iodide
- English name
- 1,3-Diethyl-2-Me-5-(trifluoro-methanesulfonyl)-3H-benzoimidazol-1-ium, iodide
- Molecular formula
- C13H16F3IN2O2S
- Molecular weight
- 448.24
Names & synonyms
55526-60-8RefChem:4143801,3-Diethyl-2-ME-5-(trifluoro-methanesulfonyl)-3H-benzoimidazol-1-ium, iodide684-447-21,3-Diethyl-2-methyl-5-((trifluoromethyl)sulfonyl)-1H-benzo[d]imidazol-3-ium iodideAKOS001026907AKOS003630649SR-01000400186SR-01000400186-1Z56756320
Database identifiers
- CAS
55526-60-8- PubChem CID
- 12200046
- EC Number
- 684-447-2
Properties
Computed structural properties
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 475
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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 38 reports by companies from 1 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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