2-Bromo-3,4,6-trifluorophenylisothiocyanate CAS 1000577-20-7
| CAS No. | 1000577-20-7 |
| Molecular Formula | C7HBrF3NS |
| Molecular Weight | 268.05 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
2-Bromo-3,4,6-trifluorophenylisothiocyanate (CAS 1000577-20-7), molecular formula C7HBrF3NS and molecular weight 268.05 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 2-Bromo-3,4,6-trifluorophenylisothiocyanate (C7HBrF3NS) is characterized by a nitrile group, sulfur-containing functionality, fluorine/bromine substitution, an aromatic ring system. 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. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
As a certified reference material (CRM), 2-Bromo-3,4,6-trifluorophenylisothiocyanate 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 | C7HBrF3NS |
| Molecular Weight | 268.05 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO |
| 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.) | 1988 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Bromo Standards
- 2-Bromo-3,4,5-trifluorophenylisothiocyanate (CAS 1000577-32-1)
- 2-Bromo-4,5,6-trifluorophenyl isothiocyanate (CAS 1000578-20-0)
- 2-Bromo-4,5,6-trifluorobenzothiazole (CAS 1080642-32-5)
- 8-Bromo-4-oxo-1,4-dihydroquinoline-2-carboxylic acid (CAS 1016841-45-4)
- 6-Bromo-4-hydroxyquinoline-2-carboxylic acid (CAS 10174-70-6)
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- 7-Bromo-3-hydroxyquinoline-4-carboxylic acid (CAS 1031929-53-9)
- 5-Bromo-3-hydroxyquinoline-4-carboxylic acid (CAS 1031929-54-0)
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- 1-(2-Methyl-1,3-dioxolan-2-yl)-2-propanone (CAS 14255-36-8)
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- 2,6-Dichloro-9-(3,5-di-O-acetyl-2-deoxy-α-D-erythro-pentofuranosyl)-9H-purine (CAS 4594-53-0)
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- Semaglutide impurity 42 (CAS CATO-C4X-222642)
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