5-[2-(3-Chlorophenoxy)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)-4-(1H-1,2,4-triazol-1-yl)cyclohexane-1,3-dione CAS 1005039-85-9
| CAS No. | 1005039-85-9 |
| Molecular Formula | C29H25ClN4O3 |
| Molecular Weight | 512.99 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 5-[2-(3-Chlorophenoxy)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)-4-(1H-1,2,4-triazol-1-yl)cyclohexane-1,3-dione.
5-[2-(3-Chlorophenoxy)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)-4-(1H-1,2,4-triazol-1-yl)cyclohexane-1,3-dione (CAS 1005039-85-9), molecular formula C29H25ClN4O3 and molecular weight 512.99 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution, 5-[2-(3-Chlorophenoxy)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)-4-(1H-1,2,4-triazol-1-yl)cyclohexane-1,3-dione is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 512.99 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.
As a certified reference material (CRM), 5-[2-(3-Chlorophenoxy)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)-4-(1H-1,2,4-triazol-1-yl)cyclohexane-1,3-dione 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 | C29H25ClN4O3 |
| Molecular Weight | 512.99 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| 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) | 19.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
Related Chlorophenoxy Standards
- (9Z)-9-{[3-(4-chlorophenoxy)phenyl]methylidene}-4,10-dithia-1-azatetracyclo[9.7.0.0^{3,7}.0^{12,17}]octadeca-3(7),5,12(17),13,15-pentaene-8,18-dione (CAS 866008-37-9)
- 5-[(E)-1-(4-Chlorophenoxy)-2-phenylethenyl]-1-(2,4-dichlorobenzenesulfonyl)-1H-pyrazole (CAS 400085-92-9)
- Methyl 2-(2-(4-chlorophenoxy)acetamido)-5-((2-ethoxyphenyl)carbamoyl)-4-methylthiophene-3-carboxylate (CAS 505095-79-4)
- 2-((5-((4-Chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(naphthalen-1-yl)acetamide (CAS 332948-45-5)
- 8-((4-chlorophenoxy)(phenyl)methylene)-2,4-diphenyl-5,6,7,8-tetrahydroquinoline (CAS 89409-21-2)
- 3-(4-Chlorophenoxy)-8-((diisobutylamino)methyl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one (CAS 685861-37-4)
- 2-((4-Butyl-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-butylphenyl)acetamide (CAS 720667-82-3)
- Methyl 2-(2-(4-chlorophenoxy)acetamido)-5-((2,4-dimethylphenyl)carbamoyl)-4-methylthiophene-3-carboxylate (CAS 332923-64-5)
Recommended Standards
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- 4-Chloro-6-(4-nitrophenoxy)pyrimidine (CAS 124041-03-8)
- ((2-(4-Bromophenoxy)-5-nitrophenyl)(hydroxy)methyl)phosphonic acid (CAS 204130-08-5)
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