3A,4,5,6,7,7a-hexahydrobenzo[d]isoxazole-3-carboxylic acid CAS 176909-92-5
| CAS No. | 176909-92-5 |
| Molecular Formula | C8H11NO3 |
| Molecular Weight | 169.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3A,4,5,6,7,7a-hexahydrobenzo[d]isoxazole-3-carboxylic acid is closely related to an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
3A,4,5,6,7,7a-hexahydrobenzo[d]isoxazole-3-carboxylic acid (CAS 176909-92-5), molecular formula C8H11NO3 and molecular weight 169.18 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3A,4,5,6,7,7a-hexahydrobenzo[d]isoxazole-3-carboxylic acid (C8H11NO3) contains an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 169.18 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).
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), 3A,4,5,6,7,7a-hexahydrobenzo[d]isoxazole-3-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 | C8H11NO3 |
| Molecular Weight | 169.18 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (faint amine-like odor) |
| 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) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2007 |
| Nitrogen Atoms | 1 |
Recommended Standards
- (S)-Hexahydro-1H-pyrrolo[2,1-d][1,2,5]triazepine-1,5(2H)-dione (CAS 175853-35-7)
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- 2-amino-5-nitrobenzonitrile (CAS 17420-30-3)
- Ethyl 2-amino-1-methyl-1H-imidazole-5-carboxylate (CAS 177760-04-2)
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- 2,7-Diiodo-9h-fluoren-9-one (CAS 16218-30-7)
- Des-Ala18-Tirzepatide (CAS CATO-CPTD788955)
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