7-Fluorobenzo[d]isothiazole CAS 139036-98-9
| CAS No. | 139036-98-9 |
| Molecular Formula | C7H4FNS |
| Molecular Weight | 153.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 153.18 g/mol gives 7-Fluorobenzo[d]isothiazole distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
7-Fluorobenzo[d]isothiazole (CAS 139036-98-9) is a high-purity analytical reference standard with the molecular formula C7H4FNS and a molecular weight of 153.18 g/mol.
Based on its molecular formula C7H4FNS, 7-Fluorobenzo[d]isothiazole contains a nitrile group, sulfur-containing functionality, fluorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 153.18 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
As a certified reference material (CRM), 7-Fluorobenzo[d]isothiazole 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 | C7H4FNS |
| Molecular Weight | 153.18 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.) | 1996 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Fluorobenzo Standards
- 6-Fluorobenzo[d]thiazole (CAS 118220-71-6)
- 6-Fluorobenzo[d]isothiazole (CAS 139037-00-6)
- 5-Fluorobenzo[d]isothiazole (CAS 139037-02-8)
- 5-Fluorobenzo[d]thiazole (CAS 1644-85-5)
- 7-Fluorobenzo[d]thiazole (CAS 214855-12-6)
- 6-Fluorobenzo[c]isoxazol-3(1H)-one (CAS 1260869-05-3)
- 7-Fluorobenzo[c]isoxazol-3(1H)-one (CAS 1781130-52-6)
- 4-Fluorobenzo[c]isoxazol-3(1H)-one (CAS 344779-33-5)
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