1,2,4-Trifluoro-3-isothiocyanatobenzene CAS 362690-54-8
| CAS No. | 362690-54-8 |
| Molecular Formula | C7H2F3NS |
| Molecular Weight | 189.16 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1,2,4-Trifluoro-3-isothiocyanatobenzene (CAS 362690-54-8), molecular formula C7H2F3NS and molecular weight 189.16 g/mol, is a CATO reference standard with documented purity and traceability.
1,2,4-Trifluoro-3-isothiocyanatobenzene (C7H2F3NS) contains a nitrile group, sulfur-containing functionality, fluorine substitution, an aromatic ring system. Halogen substitution raises its density and boiling point; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C7H2F3NS |
| Molecular Weight | 189.16 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- 4-(2-Methoxyethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CAS 1350636-48-4)
- Ethyl 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)acetate (CAS 40129-54-2)
- 3,5-Dimethyl-1H-pyrrole-2-carbonitrile (CAS 4513-92-2)
- ABX-1431, >98% (HPLC) (CAS 1446817-84-0)
- (6-{4-[(4-Chloro-phenyl)-hydrazonomethyl]-phenyl}-4-trifluoromethyl-pyridin-2-yl)-dimethyl-amine (CAS 1311283-99-4)
- Sotolasib (CAS 2296729-00-3)
- 2-({[(adamantan-1-yl)carbamoyl]methyl}sulfanyl)benzoic acid (CAS 721406-60-6)
- Tirzepatide Impurity 33 (CAS CATO-C4X-324033)
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