3-(3-Chlorophenyl)-4-((2-(trifluoromethyl)benzylidene)amino)-1H-1,2,4-triazole-5(4H)-thione CAS 478254-86-3
| CAS No. | 478254-86-3 |
| Molecular Formula | C16H10ClF3N4S |
| Molecular Weight | 382.79 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 382.79 g/mol gives 3-(3-Chlorophenyl)-4-((2-(trifluoromethyl)benzylidene)amino)-1H-1,2,4-triazole-5(4H)-thione distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies 3-(3-Chlorophenyl)-4-((2-(trifluoromethyl)benzylidene)amino)-1H-1,2,4-triazole-5(4H)-thione (CAS 478254-86-3), a certified reference material (molecular formula C16H10ClF3N4S, MW 382.79 g/mol) for analytical method development and quality control.
Structurally, 3-(3-Chlorophenyl)-4-((2-(trifluoromethyl)benzylidene)amino)-1H-1,2,4-triazole-5(4H)-thione (C16H10ClF3N4S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine 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 382.79 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C16H10ClF3N4S |
| Molecular Weight | 382.79 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, 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.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related Chlorophenyl Standards
- 2-(3-(4-Chlorophenyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetic acid (CAS 664366-16-9)
- 2-(4-Chlorophenyl)-N-(3-(trifluoromethyl)phenyl)thiazole-4-carboxamide (CAS 303998-34-7)
- 3-(2-Chlorophenyl)-4-((2-(trifluoromethyl)benzylidene)amino)-1H-1,2,4-triazole-5(4H)-thione (CAS 478254-06-7)
- 3-(2-Chlorophenyl)-4-((4-(trifluoromethyl)benzylidene)amino)-1H-1,2,4-triazole-5(4H)-thione (CAS 478254-47-6)
- 3-(3-(4-Chlorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoic acid (CAS 777857-52-0)
- 3-(3-Chlorophenyl)-4-((4-(trifluoromethyl)benzylidene)amino)-1H-1,2,4-triazole-5(4H)-thione (CAS 478255-35-5)
- N-(4-chlorophenyl)-2-(3-(trifluoromethyl)phenyl)thiazole-4-carboxamide (CAS 303998-66-5)
- 2-{2-[4-(3-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]ethyl}-2,3-dihydro-1H-isoindole-1,3-dione (CAS 860612-02-8)
Recommended Standards
- N3-[4-Phenyl-5-(trifluoromethyl)-3-thienyl]-2-chloronicotinamide (CAS 256488-38-7)
- 2-Chloro-5-N-ethylcarboxamide-2,3-O-isopropylidene adenosine (CAS 120225-75-4)
- 4-(4-Chloro-3-nitrobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid (CAS 1326814-63-4)
- 1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetyl)piperidine-4-carboxylic acid (CAS 731793-33-2)
- Tert-butyl (2S,3R,3aS,6R,7aR)-3-((tert-butyldiphenylsilyl)oxy)octahydro-1H-2,6-methanopyrrolo[3,2-b]pyridine-1-carboxylate (CAS 2088315-96-0)
- 5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carbaldehyde (CAS 1159530-92-3)
- D-[Ser]8-Semaglutide (CAS CATO-C4X-2226207)
- 5-(5,5-Dimethyl-1,3-dioxan-2-yl)-4-phenoxyvalerophenone (CAS 898755-88-9)
- Dibenzo[b,d]furan-4-amine (CAS 50548-43-1)
- N-Desmethyl Tapentadol O-β-D-Glucuronide (CAS 1300037-84-6)
- 2-((2-(Trimethylsilyl)ethoxy)methyl)-5-vinyl-2H-tetrazole (CAS 1232406-95-9)
- (R)-1-Boc-4-oxopyrrolidine-2-carboxylic Acid (CAS 364077-84-9)
- (3-(Methoxycarbonyl)benzyl)triphenylphosphonium bromide (CAS 56981-97-6)
- Semaglutide impurity 93 (CAS CATO-C4X-222693)
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