1,3-benzothiazole-6-carbonitrile CAS 58249-61-9
| CAS No. | 58249-61-9 |
| Molecular Formula | C8H4N2S |
| Molecular Weight | 160.20 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1,3-benzothiazole-6-carbonitrile (CAS 58249-61-9), molecular formula C8H4N2S and molecular weight 160.20 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 1,3-benzothiazole-6-carbonitrile (C8H4N2S) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality. 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).
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 | C8H4N2S |
| Molecular Weight | 160.20 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1973 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related benzothiazole Standards
- 1,3-Benzothiazole-7-carbonitrile (CAS 895525-11-8)
- 1,3-Benzothiazole-5-carbaldehyde (CAS 394223-38-2)
- Benzothiazole, 4-methoxy- (7CI,8CI,9CI) (CAS 3048-46-2)
- 1,3-benzothiazole-5-carbonitrile (CAS 58249-57-3)
- 5-methyl-1,3-benzothiazole (CAS 2942-16-7)
- 1,3-benzothiazole-4-carbaldehyde (CAS 1213833-90-9)
- 1,3-benzothiazole-2,6-diamine (CAS 5407-51-2)
- 2-propyl-1,3-benzothiazole (CAS 17229-76-4)
Recommended Standards
- 1-(2-Methoxyethyl)-1h-1,2,3,4-tetrazole-5-thiol (CAS 99660-87-4)
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- 1,4-Cyclohexanedione Monoethylene Acetal-d4 (CAS 56292-88-7)
- 2-((5-Amino-1,3,4-thiadiazol-2-yl)amino)ethan-1-ol (CAS 1858241-76-5)
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- N-((1H-imidazol-2-yl)methyl)-5-methylpyridin-2-amine (CAS 1342032-60-3)
- 4-(5-Tert-butyl-2,3-dimethylbenzenesulfonamido)benzoic acid (CAS 380344-35-4)
- Benzyl 3-((methylsulfonyl)oxy)cyclobutane-1-carboxylate (CAS 929913-27-9)
- Dodec-2-enal (CAS 4826-62-4)
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