2-(Phenylthio)-5-(trifluoromethyl)benzonitrile CAS 52548-95-5
| CAS No. | 52548-95-5 |
| Molecular Formula | C14H8F3NS |
| Molecular Weight | 279.28 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-(Phenylthio)-5-(trifluoromethyl)benzonitrile (CAS 52548-95-5), molecular formula C14H8F3NS and molecular weight 279.28 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-(Phenylthio)-5-(trifluoromethyl)benzonitrile (C14H8F3NS) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 279.28 g/mol, it falls into the medium-molecular-weight range. 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-(Phenylthio)-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 | C14H8F3NS |
| Molecular Weight | 279.28 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| 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.) | 1972 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Phenylthio Standards
- 5-((Phenylthio)methyl)isoxazol-3-yl dimethylcarbamate (CAS 89661-45-0)
- 3-(Phenylthio)-5-(trifluoromethyl)picolinonitrile (CAS 1449117-61-6)
- 4-(Phenylthio)quinoline-3-carboxylic acid (CAS 88350-88-3)
- 1-(1-(Phenylthio)cyclopropyl)cyclooctanol (CAS 41656-33-1)
- 1-Methyl-5-(phenylthio)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile (CAS 318284-60-5)
- methyl 3-(phenylthio)-1H-indole-2-carboxylate (CAS 116757-24-5)
- 1-Phenyl-3-(phenylthio)pyrrolidine-2,5-dione (CAS 71724-33-9)
- 1-(1-(Phenylthio)butyl)-1H-benzo[d][1,2,3]triazole (CAS 111098-62-5)
Recommended Standards
- 2-((Tert-butoxycarbonyl)amino)-5,5-difluorocyclohexane-1-carboxylic acid (CAS 2306272-55-7)
- 3-((3,4-Dimethoxyphenyl)difluoromethyl)bicyclo[1.1.1]Pentane-1-carbonitrile (CAS 2199982-82-4)
- 2-((tert-Butoxycarbonyl)amino)-3-(3,3-difluorocyclobutyl)propanoic acid (CAS 681128-43-8)
- 3-Phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine (CAS 882748-13-2)
- n-(3-Ethynylphenyl)-3-(1h-pyrazol-1-yl)propanamide (CAS 1305841-63-7)
- Prenyl Magnesium Bromide (CAS 63847-45-0)
- 4410-16-6 2-[(4-bromophenyl)methyl]-1,3-dioxolane DTXSID50373655 (CAS 4410-16-6)
- 4832-16-0 Bicyclo(4.4.0)decan-1-one 1(2H)-Naphthalenone, octahydro- AI3-06188 EINECS 225-410-9 (CAS 4832-16-0)
- 4-Methylsulfonyl-2,2',5,5'-tetrachlorobiphenyl (CAS 60640-55-3)
- 5,6-Dimethyl-3-(4-methylphenyl)-2-sulfanylthieno[2,3-d]pyrimidin-4(3h)-one (CAS 59898-65-6)
- 4-Ethynyl-3-iodopyridine (CAS 860021-80-3)
- 1-methyl-n-(2-phenylpropyl)piperidin-4-amine (CAS 415969-02-7)
- Aristolindiquinone (CAS 86533-36-0)
- Semaglutide impurity 42 (CAS CATO-C4X-222642)
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