2-Nitrothiophene-3-carbonitrile CAS 85598-50-1
| CAS No. | 85598-50-1 |
| Molecular Formula | C5H2N2O2S |
| Molecular Weight | 154.15 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), 2-Nitrothiophene-3-carbonitrile 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.
2-Nitrothiophene-3-carbonitrile (CAS 85598-50-1), molecular formula C5H2N2O2S and molecular weight 154.15 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-Nitrothiophene-3-carbonitrile (C5H2N2O2S) contains an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 154.15 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.
Physical & Chemical Properties
| Molecular Formula | C5H2N2O2S |
| Molecular Weight | 154.15 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1981 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Nitrothiophene Standards
- 3-Nitrothiophene-2-carbonitrile (CAS 85598-51-2)
- 4-Nitrothiophene-2-carbonitrile (CAS 42137-24-6)
- 4-Nitrothiophene-3-carbonitrile (CAS 89167-12-4)
- 5-Nitrothiophene-3-carbonitrile (CAS 42137-23-5)
- 3-Nitrothiophene-2-carbaldehyde (CAS 58963-75-0)
- 4-Nitrothiophene-3-carbaldehyde (CAS 39920-24-6)
- 2-nitrothiophene-3-carbaldehyde (CAS 41057-04-9)
- 4-nitrothiophene-2-carbaldehyde (CAS 57500-53-5)
Recommended Standards
- 5-Nitro-2-thiophenecarbonitrile (CAS 16689-02-4)
- 3-(1,2,3-Thiadiazol-4-yl)propiolic acid (CAS 1484234-44-7)
- 3-(1,2,3-Thiadiazol-5-yl)propiolic acid (CAS 1478337-80-2)
- 5-Cyanothiazole-4-carboxylic acid (CAS 1259077-53-6)
- 1-(3-Acetylbenzenesulfonyl)piperidine-4-carboxylic acid (CAS 790270-87-0)
- 2-((4-Cyanophenyl)carbamoyl)cyclohexane-1-carboxylic acid (CAS 714208-37-4)
- Sulfogaiacol (CAS 1321-14-8)
- 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid ethyl ester (CAS 945865-21-4)
- Juncusol (CAS 62023-90-9)
- tert-Butyl N-[(3S,5R)-5-methylpyrrolidin-3-yl]carbamate (CAS 181141-39-9)
- N-Ethyl-N-(2-((4-fluorobenzyl)amino)-2-oxoethyl)-2-(methylthio)nicotinamide (CAS 851878-17-6)
- 5-Amino-N-cyclopropyl-2-methylbenzamide (CAS 1249419-43-9)
- 1-(4-(Propylthio)phenyl)ethanol (CAS 1226232-07-0)
- Semaglutide impurity 198 (CAS CATO-C4X-2226198)
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