4-Iodo-2-trifluoromethoxyphenylisothiocyanate CAS 886501-55-9
| CAS No. | 886501-55-9 |
| Molecular Formula | C8H3F3INOS |
| Molecular Weight | 345.08 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4-Iodo-2-trifluoromethoxyphenylisothiocyanate (CAS 886501-55-9) is a high-purity analytical reference standard with the molecular formula C8H3F3INOS and a molecular weight of 345.08 g/mol.
The molecular framework of 4-Iodo-2-trifluoromethoxyphenylisothiocyanate (C8H3F3INOS) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/iodine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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), 4-Iodo-2-trifluoromethoxyphenylisothiocyanate 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 | C8H3F3INOS |
| Molecular Weight | 345.08 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F/I-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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Recommended Standards
- (1-(tert-butoxycarbonyl)-6-(trifluoromethoxy)-1H-indol-2-yl)boronic acid (CAS 906644-32-4)
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- 7-bromoimidazo[1,2-a]pyridin-2-yl trifluoromethanesulfonate (CAS 1803605-72-2)
- 2,5-Dioxopyrrolidin-1-yl 4-iodobenzoate (CAS 39028-25-6)
- ethyl 6-hydroxy-1,5-naphthyridine-3-carboxylate (CAS 2007920-40-1)
- N-(2-(pyridin-2-yl)ethyl)propan-1-amine (CAS 55496-57-6)
- 2-Amino-4-imino-2-thiazoline hydrochloride (CAS 36518-76-0)
- 5-(((1H-benzo[d]imidazol-2-yl)thio)methyl)-1-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 312285-88-4)
- Quinine Impurity 1 (CAS 1092116-26-1)
- 2-[4-(3-Methoxyphenyl)piperazin-1-yl]quinoxaline (CAS 339104-94-8)
- Tegoprazan Impurity 76 (CAS CATO-C4X-229776)
- (R)-6-Bromo Phenylephrine HCl (CAS 1391067-95-0)
- 1-{[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl}-4-(3,4-dichlorophenyl)piperazine (CAS 338416-96-9)
- Insulin Degludec Impurity 20 (CAS CATO-C4X-215720)
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