6-Nitrobenzoxazole-2(3H)-thione CAS 14541-93-6
| CAS No. | 14541-93-6 |
| Molecular Formula | C7H4N2O3S |
| Molecular Weight | 196.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 6-Nitrobenzoxazole-2(3H)-thione is closely related to an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
6-Nitrobenzoxazole-2(3H)-thione (CAS 14541-93-6), molecular formula C7H4N2O3S and molecular weight 196.18 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 6-Nitrobenzoxazole-2(3H)-thione (C7H4N2O3S) is characterized by an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system. 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. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C7H4N2O3S |
| Molecular Weight | 196.18 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO, water |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1961 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Nitrobenzoxazole Standards
- 4-Nitrobenzoxazole-2(3H)-thione (CAS 101495-34-5)
- 4-Nitrobenzoxazole-2-methanamine (CAS 1510253-71-0)
- 5-Nitrobenzoxazole-2-methanamine (CAS 918106-43-1)
- 6-Nitrobenzoxazole-2-methanamine (CAS 944897-51-2)
- 2-Ethyl-6-nitrobenzoxazole (CAS 13243-39-5)
- 2-Ethyl-4-nitrobenzoxazole (CAS 477603-34-2)
- 2-Ethyl-5-nitrobenzoxazole (CAS 204771-74-4)
- 4-Nitrobenzoxazole-2(3H)-one (CAS 28955-71-7)
Recommended Standards
- 2-(4-Fluoro-3,5-dimethylphenyl)-2-oxoacetic acid (CAS 1443307-16-1)
- 2-(1,3-Dioxolan-2-yl)-6-fluorobenzaldehyde (CAS 146137-73-7)
- 7-Fluorochromane-3-carboxylic acid (CAS 1410797-04-4)
- (2e)-3-(3-Fluoro-4-methoxyphenyl)prop-2-enoic acid (CAS 147906-08-9)
- (1R,3s,5S)-9-(tert-butoxycarbonyl)-9-azabicyclo[3.3.1]Nonane-3-carboxylic acid (CAS 2231663-92-4)
- 3-Cyclopropylpyrazole-4-carboxylic Acid (CAS 870704-26-0)
- rac 3-Acetamidononan-2-one (CAS 51714-09-1)
- 3-(Pyridin-3-yl)-5-(trifluoromethyl)pyridine-2-thiol (CAS 1214351-20-8)
- N-(4-((4-(1H-Benzo[d]imidazol-2-yl)piperidin-1-yl)sulfonyl)phenyl)-3-cyclopentylpropanamide (CAS 886888-39-7)
- 2-Methylphenylisocyanide (CAS 10468-64-1)
- Bisphenol A-13C2 (CAS 263261-64-9)
- (R)-2-(1-Amino-7-bromo-4,4-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-2,2-difluoroethanol (CAS 1415108-43-8)
- (5-(((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)methyl)-4,5-dihydroisoxazol-3-yl)methanol (CAS 338410-31-4)
- Semaglutide impurity 208 (CAS CATO-C4X-2226208)
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