4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzoic acid CAS 346597-52-2
| CAS No. | 346597-52-2 |
| Molecular Formula | C14H8N2O4S2 |
| Molecular Weight | 332.35 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzoic acid is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzoic acid (CAS 346597-52-2), molecular formula C14H8N2O4S2 and molecular weight 332.35 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C14H8N2O4S2, 4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzoic acid contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 332.35 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
As a certified reference material (CRM), 4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzoic acid 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.
Physical & Chemical Properties
| Molecular Formula | C14H8N2O4S2 |
| Molecular Weight | 332.35 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Related Benzothiazol Standards
- 3-(1,3-Benzothiazol-2-yl)-1-[(4-methylphenyl)methyl]-1,2-dihydropyridin-2-one (CAS 860609-20-7)
- N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-chloropropanamide (CAS 790263-75-1)
- 1-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}ethan-1-one (CAS 346642-22-6)
- 2-(1,3-Benzothiazol-2-yl)-3-[(4-fluorophenyl)amino]-3-sulfanylprop-2-enenitrile (CAS 379255-19-3)
- 2-Benzothiazol-2-yl-3-(2-fluoro-phenylamino)-3-mercapto-acrylonitrile (CAS 379255-65-9)
- 2-(1,3-Benzothiazol-2-yl)-3-[(2,3-dimethylphenyl)amino]-3-sulfanylprop-2-enenitrile (CAS 380195-09-5)
- 2-(1,3-Benzothiazol-2-yl)-3-[(2,5-dimethylphenyl)amino]-3-sulfanylprop-2-enenitrile (CAS 379255-62-6)
- 2-Benzothiazol-2-yl-3-(2,4-dimethyl-phenylamino)-3-mercapto-acrylonitrile (CAS 380195-11-9)
Recommended Standards
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- 3-[4-(4-hydroxybutoxy)-1-oxo-isoindolin-2-yl]piperidine-2,6-dione (CAS 2413731-83-4)
- 4-(6-Hydroxy-1-(p-tolyl)-1H-indazol-3-yl)benzene-1,3-diol (CAS 680610-95-1)
- (3aS,4S,5R,6aR)-4-(((tert-Butyldimethylsilyl)oxy)methyl)-5-((tetrahydro-2H-pyran-2-yl)oxy)hexahydropentalen-2(1H)-one (CAS 112168-22-6)
- N-(4-(Cyanomethoxy)phenyl)-4-(4-fluorophenoxy)benzamide (CAS 1090747-67-3)
- (1-(2-(Trifluoromethyl)phenyl)ethyl)hydrazine (CAS 1016502-10-5)
- 4-((Diethylamino)methyl)thiophene-2-carbaldehyde (CAS 41908-09-2)
- 3,5-Dimethyl-1-(2-methylphenyl)-1H-pyrazole-4-carbaldehyde (CAS 400757-04-2)
- 3-(4-Fluorophenyl)oxazolidin-2-one (CAS 353265-73-3)
- 3-(Azetidin-3-yl)-4-ethyl-4H-1,2,4-triazole (CAS 1514570-79-6)
- n-Methyl-7-nitro-2,1,3-benzoxadiazol-4-amine (CAS 18378-29-5)
- 2-(1-((1h-Pyrrol-1-yl)methyl)cyclohexyl)acetic acid (CAS 1249521-49-0)
- Insulin Degludec Impurity 16 (CAS CATO-C4X-215716)
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