Cyano(4-phenoxyphenyl)methyl 2-(4-chlorophenyl)-3-methylbutanoate CAS 66827-38-1
| CAS No. | 66827-38-1 |
| Molecular Formula | C25H22ClNO3 |
| Molecular Weight | 419.90 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
Cyano(4-phenoxyphenyl)methyl 2-(4-chlorophenyl)-3-methylbutanoate (CAS 66827-38-1), molecular formula C25H22ClNO3 and molecular weight 419.90 g/mol, is a CATO reference standard with documented purity and traceability.
Cyano(4-phenoxyphenyl)methyl 2-(4-chlorophenyl)-3-methylbutanoate (C25H22ClNO3) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
Physical & Chemical Properties
| Molecular Formula | C25H22ClNO3 |
| Molecular Weight | 419.90 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1976 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Related Cyano Standards
- (R)-Cyano(3-phenoxyphenyl)methyl (R)-2-(4-chlorophenyl)-3-methylbutanoate (CAS 67614-33-9)
- N-(2-Cyano-3-methylbutan-2-yl)-2-((5-phenyl-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 765280-33-9)
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Recommended Standards
- 2'-Chloro-6'-(diethylamino)-3'-methyl-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one (CAS 21121-62-0)
- Fenvalerate beta (CAS 66267-77-4)
- 2-(5-(4-((4-Chlorobenzyl)oxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid (CAS 303134-98-7)
- 67614-32-8 Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester, (S-(R*,S*))- S 5602B-alpha (CAS 67614-32-8)
- (3,5-Dimethyl-1H-indol-2-yl)methanol (CAS 706788-98-9)
- 4-Bromo-6-chlorobenzo[d]thiazole-2-thiol (CAS 1215205-90-5)
- Methyl (S)-4-(prop-1-en-2-yl)cyclohex-1-ene-1-carboxylate (CAS 26460-67-3)
- 5-Bromo-3-methyl-2-(3-methylpiperidin-1-yl)pyridine (CAS 1219967-98-2)
- 2-(2-Propyl-1H-benzo[d]imidazol-1-yl)acetic acid (CAS 331736-92-6)
- Ethyl 3-(4-(dimethylamino)phenyl)acrylate (CAS 1552-97-2)
- Hyoscine EP Impurity C（R-isomer） (CAS 17126-67-9)
- 6-Acetyl-3-chloropicolinonitrile (CAS 1256820-53-7)
- 1,3-Dichloro-5-(3-nitrophenyl)benzene (CAS 859940-64-0)
- Tau Peptide (301-315) trifluoroacetate salt (CAS 330456-48-9)
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