2-(5-Chlorobenzo[d]isoxazol-3-yl)acetic acid CAS 59899-91-1
| CAS No. | 59899-91-1 |
| Molecular Formula | C9H6ClNO3 |
| Molecular Weight | 211.60 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 211.60 g/mol gives 2-(5-Chlorobenzo[d]isoxazol-3-yl)acetic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
2-(5-Chlorobenzo[d]isoxazol-3-yl)acetic acid (CAS 59899-91-1), molecular formula C9H6ClNO3 and molecular weight 211.60 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-(5-Chlorobenzo[d]isoxazol-3-yl)acetic acid (C9H6ClNO3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 211.60 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), 2-(5-Chlorobenzo[d]isoxazol-3-yl)acetic 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 | C9H6ClNO3 |
| Molecular Weight | 211.60 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1974 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Related Chlorobenzo Standards
- Methyl 2-chlorobenzo[d]oxazole-4-carboxylate (CAS 1007112-35-7)
- Methyl 6-chlorobenzo[d]oxazole-2-carboxylate (CAS 1538430-09-9)
- 2-(2-Chlorobenzo[d]oxazol-6-yl)acetic acid (CAS 1546680-53-8)
- 2-(2-Chlorobenzo[d]oxazol-5-yl)acetic acid (CAS 1554259-82-3)
- 2-(4-Chlorobenzo[d]oxazol-2-yl)acetic acid (CAS 1803745-63-2)
- 2-(2-Chlorobenzo[d]oxazol-4-yl)acetic acid (CAS 1803794-81-1)
- 2-(2-Chlorobenzo[d]oxazol-7-yl)acetic acid (CAS 1806339-22-9)
- Methyl 2-chlorobenzo[d]oxazole-6-carboxylate (CAS 819076-91-0)
Recommended Standards
- 2-(2-Oxobenzo[d]oxazol-3(2H)-yl)acetyl chloride (CAS 74527-22-3)
- 3-(2-Chloroacetyl)benzo[d]oxazol-2(3H)-one (CAS 95923-44-7)
- 2-(2-Chloro-4-cyanophenoxy)acetic acid (CAS 926270-12-4)
- 3-Amino-5-chlorobenzofuran-2-carboxylic acid (CAS 894796-29-3)
- 4-Fluoro-2-nitro-1-(trifluoromethyl)benzene (CAS 182289-81-2)
- 1-[4-(Aminomethyl)piperidin-1-yl]-2-cyclopentylethan-1-one hydrochloride (CAS 1827825-67-1)
- 6-iodo-2,4-dimethyl-7,8-dihydro-6H-pyrazolo[4,3-b]azepin-5-one (CAS 2230522-03-7)
- 2,4-Difluoro-3-methylbenzyl alcohol (CAS 847502-91-4)
- 4-Fluoro-N-(2-iodophenyl)benzamide (CAS 136138-52-8)
- Atrasentan Impurity 79 (CAS 1058552-21-8)
- 5-Butyl-3-(p-tolyl)-1,2,4-oxadiazole (CAS 1033201-93-2)
- 4-(Cyclohexylsulfanyl)benzaldehyde (CAS 53606-38-5)
- 3-(4-Fluorophenyl)-5-(2-(3-fluorophenyl)pyrimidin-4-yl)benzo[c]isoxazole (CAS 400081-27-8)
- Des-Ala28-Tirzepatide (CAS CATO-CPTD788945)
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