3-(5-(4-(Trifluoromethyl)phenyl)-1,3,4-oxadiazol-2-yl)propanoic acid CAS 1179161-29-5
| CAS No. | 1179161-29-5 |
| Molecular Formula | C12H9F3N2O3 |
| Molecular Weight | 286.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 286.21 g/mol gives 3-(5-(4-(Trifluoromethyl)phenyl)-1,3,4-oxadiazol-2-yl)propanoic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
3-(5-(4-(Trifluoromethyl)phenyl)-1,3,4-oxadiazol-2-yl)propanoic acid (CAS 1179161-29-5), molecular formula C12H9F3N2O3 and molecular weight 286.21 g/mol, is a CATO reference standard with documented purity and traceability.
3-(5-(4-(Trifluoromethyl)phenyl)-1,3,4-oxadiazol-2-yl)propanoic acid (C12H9F3N2O3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
CATO manufactures 3-(5-(4-(Trifluoromethyl)phenyl)-1,3,4-oxadiazol-2-yl)propanoic acid under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C12H9F3N2O3 |
| Molecular Weight | 286.21 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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 DMSO, DMF, methanol |
| 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related Trifluoromethyl Standards
- 1-((3-(Trifluoromethyl)phenoxy)methyl)-1H-pyrazole-3-carboxylic acid (CAS 1004193-05-8)
- Ethyl 5-(3-(trifluoromethyl)phenyl)-1,3,4-oxadiazole-2-carboxylate (CAS 1432053-94-5)
- Ethyl 5-(4-(trifluoromethyl)phenyl)-[1,2,4]oxadiazole-3-carboxylate (CAS 151098-18-9)
- Ethyl 3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazole-5-carboxylate (CAS 163719-82-2)
- Ethyl 5-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole-3-carboxylate (CAS 163720-43-2)
- 2-{5-[3-(trifluoromethyl)phenyl]-2H-1,2,3,4-tetrazol-2-yl}acetohydrazide (CAS 729578-99-8)
- 3-(3-(3-(Trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)propanoic acid (CAS 866018-88-4)
- 3-(5-(3-(Trifluoromethyl)phenyl)-1,3,4-oxadiazol-2-yl)propanoic acid (CAS 923825-48-3)
Recommended Standards
- 5-Hydroxy Leflunomide (Metabolite M2) (CAS 1058722-46-5)
- 2-(2-((6-Bromohexyl)oxy)ethyl)pyridine (CAS 120133-39-3)
- 4-Hydroxy-Teriflunomide (CAS 1058722-45-4)
- 3-(3-Nitro-4-pyridyl)-5-(trifluoromethyl)cyclohex-2-en-1-one (CAS 1210418-41-9)
- 5-Bromo-2-ethyl-3-iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine (CAS 1246088-48-1)
- 8-Fluorochroman-4-amine (CAS 791043-28-2)
- 2-(6-METHOXYNAPHTHALEN-2-YL)PIPERAZINE (CAS 914348-90-6)
- n-(3-Fluoro-5-methylphenyl)tetrahydro-2h-thiopyran-3-amine (CAS 1541985-55-0)
- 2-(4-(Difluoromethyl)-6-methyl-5-nitropyridin-3-yl)acetic acid (CAS 1806041-00-8)
- (5-Amino-1-(2-methoxyphenyl)-1H-pyrazol-4-yl)(2-chlorophenyl)methanone (CAS 618092-02-7)
- tert-butyl 1-oxo-6-azaspiro[3.4]octane-6-carboxylate (CAS 1251010-17-9)
- D-fructose-4,5,6,6-d (CAS 478518-49-9)
- Zinc(II)2,9,16,23-(tetra-t-butyl)phthalocyanine (CAS 39001-65-5)
- D-Thr5-Tirzepatide (CAS CATO-CPTD788926)
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