2-Methoxy-4-nitro-1-thiocyanatobenzene CAS 90196-42-2
| CAS No. | 90196-42-2 |
| Molecular Formula | C8H6N2O3S |
| Molecular Weight | 210.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-Methoxy-4-nitro-1-thiocyanatobenzene (CAS 90196-42-2), molecular formula C8H6N2O3S and molecular weight 210.21 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-Methoxy-4-nitro-1-thiocyanatobenzene (C8H6N2O3S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 210.21 g/mol, it falls into the medium-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C8H6N2O3S |
| Molecular Weight | 210.21 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| 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.) | 1982 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- 3-Oxo-3-phenylpropanenitrile (CAS 614-16-4)
- 5-Hydroxy-3-(2-pyridyl)isoxazole (CAS 1596605-77-4)
- 1-(n-Methylacetamido)cyclopentane-1-carboxylic acid (CAS 1340509-96-7)
- (S)-1-Benzyl 2-ethyl 4-oxopiperidine-1,2-dicarboxylate (CAS 1389251-05-1)
- tert-Butyl 2-({3-cyano-5H,6H,7H,8H,9H,10H-cycloocta[b]pyridin-2-yl}sulfanyl)acetate (CAS 445384-24-7)
- Bilastine Impurity 74 (CAS CATO-C4X-225374)
- 2-((2-Bromoethyl)disulfaneyl)ethan-1-ol (CAS 113398-38-2)
- Allo-D-Ile12-Tirzepatide (CAS CATO-CPTD788963)
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