6-(Trifluoromethyl)benzo[d]oxazole-2(3H)-thione CAS 149367-81-7
| CAS No. | 149367-81-7 |
| Molecular Formula | C8H4F3NOS |
| Molecular Weight | 219.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
6-(Trifluoromethyl)benzo[d]oxazole-2(3H)-thione (CAS 149367-81-7), molecular formula C8H4F3NOS and molecular weight 219.18 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 6-(Trifluoromethyl)benzo[d]oxazole-2(3H)-thione (C8H4F3NOS) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C8H4F3NOS |
| Molecular Weight | 219.18 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, water (slightly soluble) |
| 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.) | 1999 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Trifluoromethyl Standards
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- 2-(Trifluoromethyl)benzo[d]thiazol-6-ol (CAS 1261740-05-9)
- 2-(Trifluoromethyl)benzo[d]thiazol-5-ol (CAS 1261811-58-8)
- 4-(Trifluoromethyl)benzo[d]isothiazol-3(2H)-one (CAS 159803-17-5)
- 5-(Trifluoromethyl)benzo[d]isothiazol-3(2H)-one (CAS 159803-18-6)
- 7-(Trifluoromethyl)thieno[3,2-c]pyridin-4(5H)-one (CAS 1936331-21-3)
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Recommended Standards
- 1-(Trimethylsilyl)-3,4-dichlorobenzene (CAS 149021-03-4)
- (1-Trifluoromethanesulfonylazetidin-3-yl)methanol (CAS 1497101-94-6)
- Pyrrolidin-3-yl trifluoromethanesulfonate (CAS 1337882-60-6)
- (R)-Pyrrolidin-3-yl trifluoromethanesulfonate (CAS 1337880-50-8)
- 2,3-Dibromo-4-(difluoromethyl)pyridine (CAS 1374659-29-6)
- N1-methyl-N1-((tetrahydro-2H-pyran-3-yl)methyl)ethane-1,2-diamine dihydrochloride (CAS 1803586-88-0)
- N-(4,5-Dihydro-1,3-oxazol-2-yl)sulfuric diamide (CAS 136810-62-3)
- 2,6-Dichloro-4-fluorobenzylamine (CAS 1804886-16-5)
- (R)-4-((2-Hydroxy-3-methylbut-3-en-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one (CAS 33783-80-1)
- N-Dodecylimidazole (CAS 4303-67-7)
- Tamsulosin Impurity 15 (CAS 3251-30-7)
- Ethyl 7-Isopropylquinoline-3-carboxylate (CAS 958331-91-4)
- 4-Cyclopropyl-1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CAS 2446483-85-6)
- [Tyr0] Fibrinopeptide A, human (CAS 103226-11-5)
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