2-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-6-ethyl-5-methyl-4-(trifluoromethyl)nicotinonitrile CAS 939888-46-7
| CAS No. | 939888-46-7 |
| Molecular Formula | C18H15F3N4S |
| Molecular Weight | 376.40 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 2-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-6-ethyl-5-methyl-4-(trifluoromethyl)nicotinonitrile.
2-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-6-ethyl-5-methyl-4-(trifluoromethyl)nicotinonitrile (CAS 939888-46-7), molecular formula C18H15F3N4S and molecular weight 376.40 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-6-ethyl-5-methyl-4-(trifluoromethyl)nicotinonitrile (C18H15F3N4S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 376.40 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
CATO manufactures 2-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-6-ethyl-5-methyl-4-(trifluoromethyl)nicotinonitrile under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C18H15F3N4S |
| Molecular Weight | 376.40 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related H Standards
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Recommended Standards
- 1-(Tert-butyl) 3-ethyl 4-((phenoxycarbonyl)amino)-2,5-dihydro-1H-pyrrole-1,3-dicarboxylate (CAS 2387601-84-3)
- 2-((3-Methylbenzyl)thio)-3-phenyl-6-(trifluoromethyl)pyrimidin-4(3H)-one (CAS 685109-29-9)
- 1-((4-Fluorophenyl)sulfonyl)-4-(2-hydroxyethyl)-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one (CAS 866039-76-1)
- 2-{[(3-methoxyphenyl)methyl]sulfanyl}-5-[3-(trifluoromethyl)phenyl]pyrimidine (CAS 339101-87-0)
- Methyl 4-(piperidin-2-yl)butanoate (CAS 1187988-88-0)
- 9-methylundecanoic acid (CAS 17001-17-1)
- (1,1,1-Trifluoromethanesulfonato-κO)bis(triphenylphosphine)gold (CAS 61359-40-8)
- N-Acetyl-S-(2,4-dimethylbenzene)-L-cysteine (CAS 581076-69-9)
- N-(2-Hydroxyethyl)-N,N-dimethyl-2-propyn-1-aminium (CAS 685082-61-5)
- Methyl 6-isopropyl-2-(4-(piperidin-1-ylsulfonyl)benzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate (CAS 449768-00-7)
- (R)-Methyl 3-amino-3-(3-hydroxyphenyl)propanoate hydrochloride (CAS 845909-40-2)
- Benzyl 4-(pyrrolidin-3-yl)piperazine-1-carboxylate (CAS 436852-08-3)
- 3-((5-Nitrofuran-2-yl)methylene)imidazo[1,2-c]quinazolin-2(3H)-one (CAS 60045-51-4)
- [Formaldehyde Schiff-base]-Semaglutide Impurity 136 X TFA Salt (CAS CATO-C4X-2226136)
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