5-(Benzo-[b]-thiophen-3-yl)-3-(trifluoromethyl)pyrazole CAS 4099-11-0
| CAS No. | 4099-11-0 |
| Molecular Formula | C12H7F3N2S |
| Molecular Weight | 268.26 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 5-(Benzo-[b]-thiophen-3-yl)-3-(trifluoromethyl)pyrazole.
5-(Benzo-[b]-thiophen-3-yl)-3-(trifluoromethyl)pyrazole (CAS 4099-11-0) is a high-purity analytical reference standard with the molecular formula C12H7F3N2S and a molecular weight of 268.26 g/mol.
Structurally, 5-(Benzo-[b]-thiophen-3-yl)-3-(trifluoromethyl)pyrazole (C12H7F3N2S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 268.26 g/mol, it falls into the medium-molecular-weight range. 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).
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), 5-(Benzo-[b]-thiophen-3-yl)-3-(trifluoromethyl)pyrazole 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 | C12H7F3N2S |
| Molecular Weight | 268.26 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1958 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
- 5-(((4-Fluorophenyl)thio)methyl)-N-hydroxyisoxazole-3-carboxamide (CAS 823220-13-9)
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- 4-Oxo-4-(3,4,5-trimethoxyphenyl)butanoic acid (CAS 5101-00-8)
- 5,7-Dihydroxy-8-methyl-2-phenyl-4H-chromen-4-one (CAS 55969-56-7)
- 4-Methoxy-N-(5-(6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)-2,3-dihydro-1H-inden-2-yl)benzenesulfonamide (CAS 114149-42-7)
- 3-(3-Bromo-4-methoxyphenyl)pyridine (CAS 914349-55-6)
- (E)-2-benzylidene-2,3-dihydro-1H-inden-1-one (CAS 17434-21-8)
- 4-Chloro-2,6-diphenylpyrimidine-5-carbonitrile (CAS 737-53-1)
- Methyl 4-bromo-5-iodo-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazole-3-carboxylate (CAS 2641466-07-9)
- 5,7-dichloro-2-methyl-Imidazo[1,2-a]pyrimidine (CAS 1289084-78-1)
- (2E)-3-(Dimethylamino)-2-[(E)-3-[4-(propan-2-yl)phenoxy]benzoyl]prop-2-enenitrile (CAS 1164465-41-1)
- Mycophenolic Acid-d3 (CAS 1185242-90-3)
- Methyl 2-(ethylamino)-2-methyl-3-(3-methyl-1h-pyrazol-1-yl)propanoate (CAS 1341112-22-8)
- D-Glu3-Tirzepatide (CAS CATO-CPTD788927)
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