6-chloro-1-ethyl-2-methyl-3-(4-sulphonatobutyl)-5-(trifluoromethyl)-1H-benzimidazolium (CAS 63816-04-6) — formula C15H18ClF3N2O3S, molecular weight 398.8; category organic chemicals.
| CAS Number | 63816-04-6 |
|---|---|
| Molecular Formula | C15H18ClF3N2O3S |
| Molecular Weight | 398.8 |
| LogP | 3.2 |
| Applications | General Manufacturing Information: 1H-Benzimidazolium, 6-chloro-1-ethyl-2-methyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-, inner salt: INACTIVE |
| Category | Organic Chemicals |
Documented applications: General Manufacturing Information: 1H-Benzimidazolium, 6-chloro-1-ethyl-2-methyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-, inner salt: INACTIVE.
6-chloro-1-ethyl-2-methyl-3-(4-sulphonatobutyl)-5-(trifluoromethyl)-1H-benzimidazolium is a carbon-based organic compound with CAS registry number 63816-04-6 and molecular formula C15H18ClF3N2O3S (molecular weight 398.8), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 63816-04-6
Its molecular formula C15H18ClF3N2O3S comprises 15 C, 18 H, 1 Cl, 3 F, 2 N, 3 O, 1 S atoms.
Also known as: 6-chloro-1-ethyl-2-methyl-3-(4-sulphonatobutyl)-5-(trifluoromethyl)-1H-benzimidazolium · 6-氯-1-乙基-2-甲基-3-(4-磺基丁基)-5-(三氟甲基)-1H-苯并咪唑鎓
Category: organic chemicals
The CAS registry number of 6-chloro-1-ethyl-2-methyl-3-(4-sulphonatobutyl)-5-(trifluoromethyl)-1H-benzimidazolium is 63816-04-6.
Molecular formula C15H18ClF3N2O3S, molecular weight 398.8.
It is also registered under: 6-chloro-1-ethyl-2-methyl-3-(4-sulphonatobutyl)-5-(trifluoromethyl)-1H-benzimidazolium, 6-氯-1-乙基-2-甲基-3-(4-磺基丁基)-5-(三氟甲基)-1H-苯并咪唑鎓.
Recorded applications: General Manufacturing Information: 1H-Benzimidazolium, 6-chloro-1-ethyl-2-methyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-, inner salt: INACTIVE.
Category: Organic Chemicals.
Independent reference data for 6-chloro-1-ethyl-2-methyl-3-(4-sulphonatobutyl)-5-(trifluoromethyl)-1H-benzimidazolium (CAS 63816-04-6), compiled from public chemistry databases.
| CAS 号 | 63816-04-6 |
|---|---|
| PubChem CID | 114288 |
| 分子式 | C15H18ClF3N2O3S |
| IUPAC 名称 | 4-[5-chloro-3-ethyl-2-methyl-6-(trifluoromethyl)benzimidazol-1-ium-1-yl]butane-1-sulfonate |
| UNII（FDA） | NS00035578 |
| Molecular Weight | 398.8 |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 398.0678758 |
| Monoisotopic Mass | 398.0678758 |
| Topological Polar Surface Area | 74.4 |
| Heavy Atom Count | 25 |
63816-04-6; 1H-Benzimidazolium, 6-chloro-1-ethyl-2-methyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-, inner salt; EINECS 264-486-8; DTXSID2070003; 1H-Benzimidazolium, 5-chloro-3-ethyl-2-methyl-1-(4-sulfobutyl)-6-trifluoromethyl)-, hydroxide, inner salt; RefChem:79725; DTXCID2044131; CCAPDUBSGCCVEZ-UHFFFAOYSA-N; NS00035578; 4-[6-Chloro-1-ethyl-2-methyl-5-(trifluoromethyl)-1H-1,3-benzimidazol-3-ium-3-yl]butane-1-sulfonate
6-氯-1-乙基-2-甲基-3-(4-磺基丁基)-5-(三氟甲基)-1H-苯并咪唑鎓 · CAS 63816-04-6 · C15H18ClF3N2O3S. UNII NS00035578.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.