N-(4-Ethyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-2-fluoro-benzamide CAS 701939-24-4
| CAS No. | 701939-24-4 |
| Molecular Formula | C12H13FN4OS |
| Molecular Weight | 280.32 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.
N-(4-Ethyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-2-fluoro-benzamide (CAS 701939-24-4), molecular formula C12H13FN4OS and molecular weight 280.32 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, N-(4-Ethyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-2-fluoro-benzamide (C12H13FN4OS) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, 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 280.32 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), N-(4-Ethyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-2-fluoro-benzamide 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 | C12H13FN4OS |
| Molecular Weight | 280.32 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Recommended Standards
- N-(4-(2-Oxopyrrolidin-1-yl)phenyl)benzamide (CAS 922885-45-8)
- N-(4-Methoxyacridin-9-yl)-N-methylacetamide (CAS 61317-31-5)
- N-(3-Methoxyacridin-9-yl)-N-methylacetamide (CAS 61299-64-7)
- n-(5-Amino-2-fluorophenyl)-1-phenylmethanesulfonamide (CAS 926198-47-2)
- 2-(Furan-2-yl)-6-hydroxypyrimidin-4(1H)-one (CAS 89508-87-2)
- (R)-3-Amino-3-(4-hydroxyphenyl)propanoic acid hydrochloride (CAS 73025-69-1)
- 2-(1,3-Dioxolan-2-yl)acetaldehyde (CAS 90711-96-9)
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- N,N-bis(propan-2-yl)-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (CAS 815581-73-8)
- 7-Benzylidene-4-phenyl-3,4,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-2(5H)-one (CAS 861632-55-5)
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- (Glu9)-Exenatide (2-39) trifluoroacetate salt (CAS 196109-34-9)
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