4-((5-Bromo-2-fluorobenzylidene)amino)-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione CAS 613249-86-8
| CAS No. | 613249-86-8 |
| Molecular Formula | C17H14BrFN4OS |
| Molecular Weight | 421.29 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-((5-Bromo-2-fluorobenzylidene)amino)-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione is closely related to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
4-((5-Bromo-2-fluorobenzylidene)amino)-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione (CAS 613249-86-8) is a high-purity analytical reference standard with the molecular formula C17H14BrFN4OS and a molecular weight of 421.29 g/mol.
Structurally, 4-((5-Bromo-2-fluorobenzylidene)amino)-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione (C17H14BrFN4OS) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 421.29 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 4-((5-Bromo-2-fluorobenzylidene)amino)-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione 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 | C17H14BrFN4OS |
| Molecular Weight | 421.29 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related Bromo Standards
- 2-(6-Bromo-2,4-diphenylquinazolin-3(4h)-yl)acetic acid (CAS 313650-47-4)
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Recommended Standards
- N-Butyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-iodobenzamide (CAS 898425-52-0)
- (Z)-N'-(3-((2,4-dichlorobenzyl)oxy)thiophene-2-carbonyl)nicotinohydrazonamide (CAS 339009-62-0)
- Itraconazole Impurity 80 (CAS CATO-C4X-149780)
- 2-((2,6-Dichlorobenzyl)thio)-6-methyl-N-(3-nitrophenyl)pyrimidin-4-amine (CAS 333420-81-8)
- 2-Amino-2-(2,4,5-trimethoxyphenyl)ethanol oxalate (CAS 1177339-41-1)
- 7-(4-Ethylpiperazin-1-yl)-2,5-dimethyl-3-(p-tolyl)pyrazolo[1,5-a]pyrimidine (CAS 902008-80-4)
- 2-Chloro-N-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)benzamide (CAS 338416-25-4)
- ((2R,3S,4R,5S)-3,4,5-Trihydroxytetrahydro-2H-pyran-2-yl)methyl dihydrogen phosphate (CAS 17659-59-5)
- 2-(2-Methoxyethoxy)-4-methylaniline (CAS 946716-14-9)
- 3-[(E)-[(2-Hydroxyphenyl)methylidene]amino]-2-phenyl-3,4-dihydroquinazolin-4-one (CAS 1392401-92-1)
- 4'-(1-Pyrrolidino)acetophenone (CAS 21557-09-5)
- 2949-22-6 Acetic acid, isocyanato-, ethyl ester Ethyl isocyanatoacetate Acetic acid, 2-isocyanato-, ethyl ester AI3-52377 Carbethoxymethyl isocyanate EINECS 220-967-4 Ethoxycarbonylmethyl isocyanate Ethyl glycolate isocyanate Isocyanatoacetic acid ethyl ester Isocyanatoethyl acetate NSC 56429 NSC 6276 (CAS 2949-22-6)
- 6-Bromo-1H-benzo[d]imidazole-2-carbonitrile (CAS 1805836-35-4)
- Tau Peptide (401-411)-Lys-Lys trifluoroacetate salt (CAS 2022956-59-6)
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