4-Cyano-3-(difluoromethoxy)-5-mercaptobenzoic acid CAS 1807181-49-2
| CAS No. | 1807181-49-2 |
| Molecular Formula | C9H5F2NO3S |
| Molecular Weight | 245.20 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), 4-Cyano-3-(difluoromethoxy)-5-mercaptobenzoic acid 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.
4-Cyano-3-(difluoromethoxy)-5-mercaptobenzoic acid (CAS 1807181-49-2) is a high-purity analytical reference standard with the molecular formula C9H5F2NO3S and a molecular weight of 245.20 g/mol.
Based on its molecular formula C9H5F2NO3S, 4-Cyano-3-(difluoromethoxy)-5-mercaptobenzoic acid contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 245.20 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.
Physical & Chemical Properties
| Molecular Formula | C9H5F2NO3S |
| Molecular Weight | 245.20 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1995 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Cyano Standards
- 4-Cyano-3-difluoromethoxy-2-mercaptobenzoic acid (CAS 1804923-60-1)
- 2-Cyano-4-(difluoromethoxy)-3-mercaptobenzoic acid (CAS 1805482-00-1)
- 2-Cyano-4-(difluoromethoxy)-6-mercaptobenzoic acid (CAS 1805657-93-5)
- 2-Cyano-3-(difluoromethoxy)-6-mercaptobenzoic acid (CAS 1807181-12-9)
- 2-Cyano-5-(difluoromethoxy)-4-mercaptobenzoic acid (CAS 1807257-47-1)
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Recommended Standards
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- 2-Ethoxy-6-(2,2,2-trifluoroethoxy)benzonitrile (CAS 175204-04-3)
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- 3-Ethyl-N-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboximidamide (CAS 791722-16-2)
- Tirzepatide Impurity 18 (CAS CATO-C4X-324018)
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