(2Z)-3-[4-(2,4-Dichlorophenyl)-7-thia-2,5-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5-trien-3-yl]-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile CAS 478041-77-9
| CAS No. | 478041-77-9 |
| Molecular Formula | C25H16Cl2F3N3S |
| Molecular Weight | 518.38 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 (2Z)-3-[4-(2,4-Dichlorophenyl)-7-thia-2,5-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5-trien-3-yl]-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile.
CATO supplies (2Z)-3-[4-(2,4-Dichlorophenyl)-7-thia-2,5-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5-trien-3-yl]-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile (CAS 478041-77-9), a certified reference material (molecular formula C25H16Cl2F3N3S, MW 518.38 g/mol) for analytical method development and quality control.
Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution, (2Z)-3-[4-(2,4-Dichlorophenyl)-7-thia-2,5-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5-trien-3-yl]-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 518.38 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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.
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 | C25H16Cl2F3N3S |
| Molecular Weight | 518.38 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) | 17.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Z Standards
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Recommended Standards
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- 9,10[1',2']-Benzenoanthracene-2,3,6,7,14,15-hexacarboxylicacid,9,10-dihydro (CAS 945681-56-1)
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- 1-(3,5-Difluorophenyl)biguanide hydrochloride (CAS 1030829-66-3)
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- 2-Bromo-3,3,3-trifluoropropanoic acid (CAS 71026-98-7)
- 6-((1H-benzo[d]imidazol-2-yl)methyl)benzo[d]thiazol-2-amine (CAS 797029-47-1)
- N-(2,4-Dimethoxyphenyl)benzofuro[3,2-d]pyrimidin-4-amine (CAS 847379-79-7)
- 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanamide 307-40-4 Perfluorodecanamide (CAS 307-40-4)
- 1-(4-Methoxyphenyl)-2-phenylquinazolin-4(1H)-one (CAS 1099-99-6)
- 3-bromo-6H,7H-thieno[2,3-c]pyridin-7-one (CAS 1360967-00-5)
- 3-(Triphenylsilyl)propan-1-ol (CAS 2509-34-4)
- Tirzepatide Impurity 24 X TFA Salt (CAS CATO-C4X-324024)
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