2-[(2,3-Dichlorophenyl)sulfanyl]-5-(trifluoromethyl)benzonitrile CAS 477866-79-8
| CAS No. | 477866-79-8 |
| Molecular Formula | C14H6Cl2F3NS |
| Molecular Weight | 348.17 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-[(2,3-Dichlorophenyl)sulfanyl]-5-(trifluoromethyl)benzonitrile is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2-[(2,3-Dichlorophenyl)sulfanyl]-5-(trifluoromethyl)benzonitrile (CAS 477866-79-8) is a high-purity analytical reference standard with the molecular formula C14H6Cl2F3NS and a molecular weight of 348.17 g/mol.
Based on its molecular formula C14H6Cl2F3NS, 2-[(2,3-Dichlorophenyl)sulfanyl]-5-(trifluoromethyl)benzonitrile contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 348.17 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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.
As a certified reference material (CRM), 2-[(2,3-Dichlorophenyl)sulfanyl]-5-(trifluoromethyl)benzonitrile meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C14H6Cl2F3NS |
| Molecular Weight | 348.17 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Dichlorophenyl Standards
- 2-[(2,4-Dichlorophenyl)sulfanyl]-5-(trifluoromethyl)benzonitrile (CAS 477866-80-1)
- 2-[(2,6-Dichlorophenyl)sulfanyl]-5-(trifluoromethyl)benzonitrile (CAS 477866-72-1)
- (1-(3,4-Dichlorophenyl)-1H-1,2,3-triazol-4-yl)methyl benzoate (CAS 338419-31-1)
- N-(3,4-dichlorophenyl)-2-(5-phenyl-2H-tetrazol-2-yl)acetamide (CAS 337505-83-6)
- 1-(5-((2,4-Dichlorophenyl)thio)-4-nitrothiophen-2-yl)ethanone (CAS 1247819-56-2)
- 1-(5-((3,5-Dichlorophenyl)thio)-4-nitrothiophen-2-yl)ethanone (CAS 1247819-69-7)
- (5Z)-5-[(2,4-Dichlorophenyl)methylene]-4-oxo-2-thioxo-3-thiazolidineacetic acid (CAS 1527479-57-7)
- 6-(2,4-Dichlorophenyl)-3-(piperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CAS 1706432-93-0)
Recommended Standards
- 4,4,5,5-Tetramethyl-2-(4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)-1,3,2-dioxaborolane (CAS 1381958-89-9)
- 5-Fluoro-3-pentafluoroethyl-1-phenyl-4-trifluoromethyl-1H-pyrazole (CAS 121807-33-8)
- 1-(5-Bromo-2-fluorobenzyl)-1H-indole-2-carboxylic acid (CAS 1036606-78-6)
- 2-Chloro-1-{1-[3-chloro-4-(difluoromethoxy)phenyl]-2,5-dimethyl-1h-pyrrol-3-yl}ethan-1-one (CAS 785792-25-8)
- 1-Butyl-2-((E)-2-((E)-3-(2-((E)-1-butyl-3,3-dimethylindolin-2-ylidene)ethylidene)-2-chlorocyclopent-1-en-1-yl)vinyl)-3,3-dimethyl-3H-indol-1-ium perchlorate (CAS 110992-70-6)
- Methyl 2-[3-(aminomethyl)cyclobutyl]acetate hydrochloride (CAS 1638765-19-1)
- 5-nitro-2-phenoxybenzoic acid (CAS 54255-63-9)
- Sodium L-Pyroglutamate (CAS 28874-51-3)
- 3-Bromo-2,4-diiodo-5-methylthiophene (CAS 1221791-68-9)
- Pyronaridine Impurity 23 (CAS CATO-C4X-297823)
- 5-((Dimethylamino)methyl)-4-(2-naphthyl)-1,3-thiazol-2-amine (CAS 1023816-66-1)
- 4-(Chloromethyl)-5-(2,6-dichlorophenyl)pyrimidine (CAS 1361760-25-9)
- 3-(Furan-2-yloxy)-5-hydrazinyl-1H-pyrazole (CAS 780717-03-5)
- Myosin Kinase Inhibiting Peptide (CAS 119386-39-9)
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