3-(Benzo[d][1,3]dioxol-5-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-6-carboxylic acid CAS 126598-35-4
| CAS No. | 126598-35-4 |
| Molecular Formula | C12H8N4O4S |
| Molecular Weight | 304.28 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-(Benzo[d][1,3]dioxol-5-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-6-carboxylic 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.
3-(Benzo[d][1,3]dioxol-5-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-6-carboxylic acid (CAS 126598-35-4) is a high-purity analytical reference standard with the molecular formula C12H8N4O4S and a molecular weight of 304.28 g/mol.
The molecular framework of 3-(Benzo[d][1,3]dioxol-5-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-6-carboxylic acid (C12H8N4O4S) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. 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.
As a certified reference material (CRM), 3-(Benzo[d][1,3]dioxol-5-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-6-carboxylic 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 | C12H8N4O4S |
| Molecular Weight | 304.28 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1993 |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related Benzo Standards
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Recommended Standards
- (R)-Methyl 3-cyclopentyl-2-(((trifluoromethyl)sulfonyl)oxy)propanoate (CAS 1174013-25-2)
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- 4-(Tetrahydro-2H-pyran-2-yloxy)phenylsulphur pentafluoride (CAS 1159512-30-7)
- 4-Fluoro-N-methyl-N-(piperidin-4-yl)-2-(trifluoromethyl)benzamide (CAS 1822355-39-4)
- Ubrogepant N-Oxide 2 (CAS CATO-C4X-34027)
- 3-(2-Ethyl-1h-imidazol-1-yl)-2-methylpropanoic acid hydrochloride (CAS 1185293-54-2)
- 3-(2,5-dimethylphenyl)propanal (CAS 41496-44-0)
- Methyl 6-bromo-4-fluorobenzo[b]thiophene-2-carboxylate (CAS 154650-60-9)
- 4-((3,4-Dichloro-1-methyl-1H-pyrazol-5-yl)oxy)benzenesulfonamide (CAS 318284-21-8)
- 2-(Difluoromethyl)-1H-benzo[d]imidazol-6-amine (CAS 891831-55-3)
- Ethyl 2-(4-fluorophenyl)-5-iodopyrazolo[1,5-a]pyridine-3-carboxylate (CAS 1956381-64-8)
- 2-Hydroxy-6-(morpholine-4-sulfonyl)quinoline-4-carboxylic acid (CAS 380426-68-6)
- Piperidine-1-carboximidamide (CAS 4705-39-9)
- [3-31]-Semaglutide D (Sodium salt) (CAS CATO-C4X-2226119)
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