IR-820 CAS 172616-80-7
| CAS No. | 172616-80-7 |
| Molecular Formula | C46H70ClN2O6S2 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 869.63 g/mol gives IR-820 distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
IR-820 (CAS 172616-80-7) is a high-purity analytical reference standard with the molecular formula C46H70ClN2O6S2Na and a molecular weight of 869.63 g/mol.
Structurally, IR-820 (C46H70ClN2O6S2Na) contains a salt form, a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.5, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 869.63 g/mol, it falls into the high-molecular-weight range. 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 IR-820 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 | C46H70ClN2O6S2 Na |
| Molecular Weight | 869.63 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 12.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2006 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Recommended Standards
- 4-Fluoro-2-methoxypyridin-3-amine (CAS 175965-74-9)
- 4-(1,5-Diphenyl-1H-pyrazole-4-carbonyl)morpholine (CAS 477711-84-5)
- Hydralazine-15N4 Pyruvic Acid Hydrazone (CAS 1346606-25-4)
- 3-((4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)methyl)pyrrolidine hydrochloride (CAS 2365173-93-7)
- 2-bromo-5,6,7,8,9,9-hexachloro-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene 928-90-5 AR-1D9527 (CAS 928-90-5)
- (5-Chlorothiophen-2-yl)(thiophen-2-yl)methanol (CAS 1152950-52-1)
- 6387-22-0 5-Amino-3-chlorotoluene-2-sulphonic acid EINECS 228-992-2 (CAS 6387-22-0)
- Methyl 3-(2-formyl-1H-indol-1-yl)propanoate (CAS 1438805-17-4)
- tert-Butyl 3,4-dihydroxypyrrolidine-1-carboxylate (CAS 298681-10-4)
- Semaglutide impurity 39 (CAS CATO-C4X-222639)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com