5-Fluorobenzo[b]thiophene-2-carbonitrile CAS 1190198-23-2
| CAS No. | 1190198-23-2 |
| Molecular Formula | C9H4FNS |
| Molecular Weight | 177.20 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.
5-Fluorobenzo[b]thiophene-2-carbonitrile (CAS 1190198-23-2), molecular formula C9H4FNS and molecular weight 177.20 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 5-Fluorobenzo[b]thiophene-2-carbonitrile (C9H4FNS) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 177.20 g/mol, it falls into the medium-molecular-weight range. 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), 5-Fluorobenzo[b]thiophene-2-carbonitrile 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 | C9H4FNS |
| Molecular Weight | 177.20 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Fluorobenzo Standards
- 7-Fluorobenzo[b]thiophene-2-carbonitrile (CAS 1378458-73-1)
- 6-Fluorobenzo[b]thiophene-2-carbonitrile (CAS 1517197-72-6)
- 3-Fluorobenzo[b]thiophene-2-carbonitrile (CAS 2138098-78-7)
- 5-Fluorobenzo[d]thiazole-2-carbonitrile (CAS 169776-03-8)
- 6-Fluorobenzo[d]thiazole-2-carbonitrile (CAS 169776-04-9)
- 4-Fluorobenzo[d]thiazole-2-carbonitrile (CAS 169776-13-0)
- 7-Fluorobenzo[d]thiazole-4-carbonitrile (CAS 2117417-23-7)
- 2-(5-Fluorobenzo[d]oxazol-7-yl)acetonitrile (CAS 1707371-73-0)
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