3-Chloro-2-fluorophenylisothiocyanate CAS 127142-65-8
| CAS No. | 127142-65-8 |
| Molecular Formula | C7H3ClFNS |
| Molecular Weight | 187.62 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 187.62 g/mol gives 3-Chloro-2-fluorophenylisothiocyanate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies 3-Chloro-2-fluorophenylisothiocyanate (CAS 127142-65-8), a certified reference material (molecular formula C7H3ClFNS, MW 187.62 g/mol) for analytical method development and quality control.
The molecular framework of 3-Chloro-2-fluorophenylisothiocyanate (C7H3ClFNS) is characterized by a nitrile group, sulfur-containing functionality, fluorine/chlorine 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.
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), 3-Chloro-2-fluorophenylisothiocyanate 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 | C7H3ClFNS |
| Molecular Weight | 187.62 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.) | 1993 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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Recommended Standards
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