3-Amino-3-(2,3,6-trichlorophenyl)propanoic acid CAS 682804-29-1
| CAS No. | 682804-29-1 |
| Molecular Formula | C9H8Cl3NO2 |
| Molecular Weight | 268.52 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
3-Amino-3-(2,3,6-trichlorophenyl)propanoic acid (CAS 682804-29-1) is a high-purity analytical reference standard with the molecular formula C9H8Cl3NO2 and a molecular weight of 268.52 g/mol.
Structurally, 3-Amino-3-(2,3,6-trichlorophenyl)propanoic acid (C9H8Cl3NO2) 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 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 268.52 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
CATO manufactures 3-Amino-3-(2,3,6-trichlorophenyl)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 | C9H8Cl3NO2 |
| Molecular Weight | 268.52 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Related Amino Standards
- Ethyl 2-amino-3,5,6-trichlorobenzoate (CAS 1178379-51-5)
- 3-Amino-3-(2,3,5-trichlorophenyl)propanoic acid (CAS 682804-30-4)
- 2-Amino-6-bromo-3-chloro-5-fluorobenzoic acid (CAS 1513119-35-1)
- 2-Amino-4-bromo-5-chloro-3-fluorobenzoic Acid (CAS 1698027-17-6)
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Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
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