2-((1S,4S)-4-(4-chlorophenylsulfonyl)-4-(2,5-difluorophenyl)cyclohexyl)acetonitrile CAS 471905-01-8
| CAS No. | 471905-01-8 |
| Molecular Formula | C20H18ClF2NO2S |
| Molecular Weight | 409.88 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
2-((1S,4S)-4-(4-chlorophenylsulfonyl)-4-(2,5-difluorophenyl)cyclohexyl)acetonitrile (CAS 471905-01-8), molecular formula C20H18ClF2NO2S and molecular weight 409.88 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, 2-((1S,4S)-4-(4-chlorophenylsulfonyl)-4-(2,5-difluorophenyl)cyclohexyl)acetonitrile is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 409.88 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
As a certified reference material (CRM), 2-((1S,4S)-4-(4-chlorophenylsulfonyl)-4-(2,5-difluorophenyl)cyclohexyl)acetonitrile 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 | C20H18ClF2NO2S |
| Molecular Weight | 409.88 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Recommended Standards
- 1-((4-(2-Chlorophenoxy)phenyl)sulfonamido)cyclohexane-1-carboxylic acid (CAS 885268-82-6)
- 4-((4-(Tert-butyl)phenyl)sulfonyl)-6-chloro-3,4-dihydro-2H-benzo[b][1,4]oxazine-2-carboxylic acid (CAS 866134-75-0)
- (Z)-5-(3-((2-Chloro-4-fluorophenoxy)methyl)-4-methoxybenzylidene)-2-mercaptothiazol-4(5H)-one (CAS 832737-63-0)
- 4-[2-(4-Chlorobenzenesulfonyl)acetyl]-2,6-dimethylphenyl N,N-dimethylcarbamate (CAS 339112-12-8)
- 2-(Benzyloxy)-5-methylaniline (CAS 859791-73-4)
- (4-Chloro-5-methoxypyrimidin-2-yl)methanamine (CAS 1353989-63-5)
- 4-(3-Chlorobenzyl)tetrahydro-2h-thiopyran-4-carboxylic acid 1,1-dioxide (CAS 2197052-84-7)
- 3-Bromo-6-methylthieno[3,2-b]thiophene-2,5-dione (CAS 133514-85-9)
- Carglumic Acid USP Related Compound D (CAS 3058816-86-4)
- Betaxolol Impurity 18 (CAS CATO-C4X-155918)
- 1-(((2-Methylbenzyl)amino)methyl)cyclohexan-1-ol (CAS 1179950-03-8)
- 2,5-Dibromo-3,6-difluorotoluene (CAS 1803776-06-8)
- 4-(Difluoromethyl)-3-hydroxy-5-methylpyridine-2-sulfonyl chloride (CAS 1805603-54-6)
- Semaglutide impurity 96 (CAS CATO-C4X-222696)
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