(E)-2-(2-Chlorobenzoyl)-3-[4-fluoro-3-(trifluoromethyl)anilino]-2-propenenitrile CAS 1025596-46-6
| CAS No. | 1025596-46-6 |
| Molecular Formula | C17H9ClF4N2O |
| Molecular Weight | 368.71 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of (E)-2-(2-Chlorobenzoyl)-3-[4-fluoro-3-(trifluoromethyl)anilino]-2-propenenitrile is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
(E)-2-(2-Chlorobenzoyl)-3-[4-fluoro-3-(trifluoromethyl)anilino]-2-propenenitrile (CAS 1025596-46-6), molecular formula C17H9ClF4N2O and molecular weight 368.71 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, fluorine/chlorine substitution, (E)-2-(2-Chlorobenzoyl)-3-[4-fluoro-3-(trifluoromethyl)anilino]-2-propenenitrile is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 368.71 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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)-2-(2-Chlorobenzoyl)-3-[4-fluoro-3-(trifluoromethyl)anilino]-2-propenenitrile 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 | C17H9ClF4N2O |
| Molecular Weight | 368.71 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
Related E Standards
- Methyl 3-[(3-chlorobenzoyl)amino]-3-(1-naphthyl)propanoate (CAS 439108-87-9)
- Ethyl 2-{2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl}-2-(methoxyimino)acetate (CAS 1024870-00-5)
- (2E)-2-[5-(4-Chlorobenzoyl)thiophen-2-yl]-3-(3-methylthiophen-2-yl)prop-2-enenitrile (CAS 338966-69-1)
- 4-(3-Chlorobenzoyl)-8-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid (CAS 1326809-11-3)
- 4-(2-Chlorobenzoyl)-8-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid (CAS 1326809-25-9)
- 4-(4-Chlorobenzoyl)-8-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid (CAS 1326809-93-1)
- 16-(4-Chlorobenzoyl)-11,15-dioxa-16-azatetracyclo[8.7.0.0^{2,7}.0^{13,17}]heptadeca-1(10),2(7),3,5,8-pentaene (CAS 477853-75-1)
- 1-(2-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic Acid Methyl Ester (CAS 1568-35-0)
Recommended Standards
- Piperazine Impurity 48 (CAS CATO-C4X-242748)
- 1-Benzyl-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl trifluoromethanesulfonate (CAS 856250-49-2)
- 5-(Mercaptomethyl)-3-phenyl-2-thioxoimidazolidin-4-one (CAS 5789-26-4)
- 2-[(E)-2-[(2-Chloro-6-fluorophenyl)methylidene]hydrazin-1-yl]-3-(trifluoromethyl)quinoxaline (CAS 338962-29-1)
- (2-((1,4-Dioxa-8-azaspiro[4.5]Decan-8-yl)methyl)phenyl)(4-(methylthio)phenyl)methanone (CAS 898755-95-8)
- Methyl 10-bromodecanoate (CAS 26825-94-5)
- (4S,5R)-4-Hydroxy-5-(hydroxymethyl)dihydrofuran-2(3H)-one (CAS 34371-14-7)
- Ethyl 3-(1-benzylpiperidin-3-yl)-3-oxopropanoate (CAS 887591-74-4)
- 2-Amino-3-((S)-1-(tert-butoxycarbonyl)pyrrolidin-2-yl)propanoic acid (CAS 1260658-73-8)
- (2-Bromo-1-((4-methylpentyl)oxy)ethyl)benzene (CAS 1250350-13-0)
- 4-((Diethylamino)methyl)benzenethiol (CAS 1443348-53-5)
- 2-Allyl-1-hydroxy-9,10-anthraquinone (CAS 64302-87-0)
- 1-(3-Fluoro-4-methoxyphenyl)cyclobutanemethanamine (CAS 2089914-54-3)
- Glucagon-like peptide 2 (CAS 89750-15-2)
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