2-Bromo-6-chloro-4-(trifluoromethyl)phenyl isothiocyanate CAS 1000577-70-7
| CAS No. | 1000577-70-7 |
| Molecular Formula | C8H2BrClF3NS |
| Molecular Weight | 316.53 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.
2-Bromo-6-chloro-4-(trifluoromethyl)phenyl isothiocyanate (CAS 1000577-70-7), molecular formula C8H2BrClF3NS and molecular weight 316.53 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C8H2BrClF3NS, 2-Bromo-6-chloro-4-(trifluoromethyl)phenyl isothiocyanate contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 316.53 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C8H2BrClF3NS |
| Molecular Weight | 316.53 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| 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/Cl/Br-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Bromo Standards
- 4-Bromo-2-chloro-6-(trifluoromethyl)phenyl isothiocyanate (CAS 1027512-61-3)
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- 1-Oxo-2,3-dihydro-1H-indene-5-sulfonyl chloride (CAS 61565-36-4)
- 2-(P-tolyl)butanoic acid (CAS 68692-82-0)
- N-((2-oxocyclohexyl)methyl)furan-2-carboxamide (CAS 249303-13-7)
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