(E)-3-((2-(4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-2-oxoethoxy)imino)-2-(4-chlorophenyl)propanenitrile CAS 400076-75-7
| CAS No. | 400076-75-7 |
| Molecular Formula | C21H18Cl2F3N5O2 |
| Molecular Weight | 500.30 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, (E)-3-((2-(4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-2-oxoethoxy)imino)-2-(4-chlorophenyl)propanenitrile (C21H18Cl2F3N5O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 500.30 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
CATO supplies (E)-3-((2-(4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-2-oxoethoxy)imino)-2-(4-chlorophenyl)propanenitrile (CAS 400076-75-7), a certified reference material (molecular formula C21H18Cl2F3N5O2, MW 500.30 g/mol) for analytical method development and quality control.
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), (E)-3-((2-(4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-2-oxoethoxy)imino)-2-(4-chlorophenyl)propanenitrile 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 | C21H18Cl2F3N5O2 |
| Molecular Weight | 500.30 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 5 |
Related E Standards
- (R)-4-(2-((2-Chloro-4-fluorophenyl)amino)-5-methylpyrimidin-4-yl)-N-(1-(3-chlorophenyl)-2-hydroxyethyl)-1H-pyrrole-2-carboxamide (CAS 1680187-43-2)
- N-(4-chloro-3-nitrophenyl)-2-((5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 443739-90-0)
- N-(4-Chloro-2-methoxy-5-methylphenyl)-2-((4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 476483-99-5)
- N-(3-chloro-4-methoxyphenyl)-2-((3-ethyl-4-oxo-7-(p-tolyl)-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide (CAS 1040632-87-8)
- N-(5-Chloro-2-methoxyphenyl)-2-{[3-ethyl-7-(4-methylphenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide (CAS 1040651-81-7)
- N-(4-Chloro-2-methoxy-5-methylphenyl)-2-({3-ethyl-4-oxo-7-phenyl-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide (CAS 1040662-84-7)
- 2-chloro-4,6-bis(9,9-dimethyl-9H-fluoren-2yl)-1,3,5-Triazine (CAS 1459162-69-6)
- 2-(5-((3-(3-Chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid (CAS 956958-57-9)
Recommended Standards
- 1,3-bis[3,5-bis(trifluoromethyl)phenyl]thiourea (CAS 1060-92-0)
- Triphenylbismuthcarbonate (CAS 47252-14-2)
- Sodium pyroantimonate (CAS 12507-68-5)
- 2,4-Bis(dimethylamino)-1,3-bis(3-(trifluoromethyl)phenyl)-1,3,2,4-diazadiphosphetidine 2,4-dioxide (CAS 646506-43-6)
- 1-(Chloromethyl)-4-ethoxy-2-fluorobenzene (CAS 1935948-33-6)
- 2-(Benzyloxy)-1,3,5-tribromobenzene (CAS 88486-72-0)
- Tert-butyl (1-(4-nitrobenzyl)piperidin-4-yl)carbamate (CAS 323578-34-3)
- Vonoprazan Impurity 258 (CAS CATO-C4X-1020258)
- Infigratinib Phosphate - API Standards (CAS 1310746-10-1)
- 4-(4-Ethoxyphenyl)butan-2-one (CAS 86416-81-1)
- (4S)-4-Benzyl-3-(2-bromopropanoyl)oxazolidin-2-one (CAS 192864-91-8)
- 2,5-Dichloro-3-methylphenacyl chloride (CAS 1806288-63-0)
- tert-Butyl (R)-(3-hydroxy-1-(methylamino)-1-oxopropan-2-yl)carbamate (CAS 90703-09-6)
- TRAF6 Peptide trifluoroacetate salt (CAS 852805-92-6)
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