7-(Trifluoromethyl)benzo[b]thiophene-2-carbonitrile CAS 2115921-53-2
| CAS No. | 2115921-53-2 |
| Molecular Formula | C10H4F3NS |
| Molecular Weight | 227.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 227.21 g/mol gives 7-(Trifluoromethyl)benzo[b]thiophene-2-carbonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
7-(Trifluoromethyl)benzo[b]thiophene-2-carbonitrile (CAS 2115921-53-2), molecular formula C10H4F3NS and molecular weight 227.21 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C10H4F3NS, 7-(Trifluoromethyl)benzo[b]thiophene-2-carbonitrile contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 227.21 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C10H4F3NS |
| Molecular Weight | 227.21 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate |
| 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.) | 1997 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Trifluoromethyl Standards
- 4-(Trifluoromethyl)benzo[b]thiophene-2-carbonitrile (CAS 2115333-67-8)
- 5-(Trifluoromethyl)benzo[b]thiophene-2-carbonitrile (CAS 2121705-26-6)
- 6-(Trifluoromethyl)benzo[b]thiophene-2-carbonitrile (CAS 2121264-35-3)
- 7'-(Trifluoromethyl)-2',3'-dihydro-1'H-spiro[cyclopropane-1,4'-isoquinoline] (CAS 1203683-05-9)
- 5'-(Trifluoromethyl)-2',3'-dihydro-1'H-spiro[cyclopropane-1,4'-isoquinoline] (CAS 1203686-67-2)
- 1-(2-(Trifluoromethyl)phenyl)-3-azabicyclo[3.1.0]Hexane (CAS 863679-47-4)
- 1-(3-(Trifluoromethyl)phenyl)-3-azabicyclo[3.1.0]Hexane (CAS 86215-49-8)
- 1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane (CAS 86215-23-8)
Recommended Standards
- 7-Fluoro-6-methoxybenzo[d]isothiazole-3-carboxylic acid (CAS 936923-47-6)
- 5-Hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide (CAS 35179-63-6)
- Droxidopa Impurity 7 (CAS 29025-01-2)
- 5,5-difluorospiro[6H-pyrano[3,4-b]pyridine-8,3'-tetrahydrofuran] (CAS 2761389-78-8)
- 5-(N-benzyl-N-(6-(4-phenylbutoxy)hexyl)glycyl)-2-hydroxybenzaldehyde (CAS 163923-19-1)
- Methyl 2-(furan-2-carbonyl)benzoate (CAS 1443349-48-1)
- 6-Chloro-5-(difluoromethyl)-4-methylnicotinic acid (CAS 1806940-03-3)
- 4-Amino-2-cyclopropylisoindolin-1-one (CAS 1280689-43-1)
- 6-Methyl-2-(methylsulfanyl)-4-[(Z)-2-phenylethenyl]pyridine-3-carbonitrile (CAS 1164520-02-8)
- N,N-dimethyldodecan-1-amine (CAS 112-18-5)
- 4-Hydroxy-9-methyl-2H-pyrido[1,2-a]pyrimidin-2-one (CAS 671761-31-2)
- Falecalcitriol impurity 2 (CAS 303015-34-1)
- (2-([6-(4-Phenylpiperazin-1-yl)pyrimidin-4-yl]oxy)ethyl)amine (CAS 1204296-34-3)
- Semaglutide impurity 81 (CAS CATO-C4X-222681)
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