6-Fluorobenzo[b]thiophene-2-carbonitrile CAS 1517197-72-6
| CAS No. | 1517197-72-6 |
| Molecular Formula | C9H4FNS |
| Molecular Weight | 177.20 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 177.20 g/mol gives 6-Fluorobenzo[b]thiophene-2-carbonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
6-Fluorobenzo[b]thiophene-2-carbonitrile (CAS 1517197-72-6) is a high-purity analytical reference standard with the molecular formula C9H4FNS and a molecular weight of 177.20 g/mol.
6-Fluorobenzo[b]thiophene-2-carbonitrile (C9H4FNS) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution. Halogen substitution raises its density and boiling point; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | 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.) | 1992 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Fluorobenzo Standards
- 5-Fluorobenzo[b]thiophene-2-carbonitrile (CAS 1190198-23-2)
- 7-Fluorobenzo[b]thiophene-2-carbonitrile (CAS 1378458-73-1)
- 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)
Recommended Standards
- 1-(Pyridin-3-ylmethyl)cyclopropane-1-carboxylic acid (CAS 1517065-64-3)
- 3-Acetyl-6,7-dihydro-1H-cyclopenta[b]pyridin-2(5H)-one (CAS 1519483-01-2)
- Coumarin-3nitrile (CAS 15119-34-3)
- 6-Methoxy-2-methylimidazo[1,2-a]pyridin-3-amine (CAS 1520318-62-0)
- 6-Nitro-2,3-dihydro-benzo[1,4]dioxine (CAS 16498-20-7)
- 4-Chloro-3-methylbenzo[b]thiophene (CAS 20895-96-9)
- trans-4-Fluoropyrrolidine-2-carboxylic Acid (CAS 21156-44-5)
- 2-(Difluoromethyl)-3-methoxy-5-(trifluoromethoxy)pyridine-6-acetic acid (CAS 1806750-71-9)
- 2,3,4,6-Tetra-O-benzyl-D-glucopyranosyl Acetate (CAS 80300-30-7)
- 6-Bromo-3-iodo-2-methylimidazo[1,2-b]pyridazine (CAS 1936093-22-9)
- 2-((3,3-Dichloroallyl)thio)-6-methylpyrimidin-4(1H)-one (CAS 88037-19-8)
- 2-(1,3-Dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)acetic acid (CAS 52208-61-4)
- 3-Fluoro-5-({[2-(3-methylphenoxy)ethyl]amino}methyl)benzonitrile (CAS 1539224-83-3)
- a2,3-Sialylglycopeptide (CAS 189035-43-6)
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