2-[(2E)-3-(4-Chlorophenyl)prop-2-enoyl]phenyl 3-nitrobenzoate CAS 331461-68-8
| CAS No. | 331461-68-8 |
| Molecular Formula | C22H14ClNO5 |
| Molecular Weight | 407.80 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-[(2E)-3-(4-Chlorophenyl)prop-2-enoyl]phenyl 3-nitrobenzoate is closely related to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2-[(2E)-3-(4-Chlorophenyl)prop-2-enoyl]phenyl 3-nitrobenzoate (CAS 331461-68-8) is a high-purity analytical reference standard with the molecular formula C22H14ClNO5 and a molecular weight of 407.80 g/mol.
2-[(2E)-3-(4-Chlorophenyl)prop-2-enoyl]phenyl 3-nitrobenzoate (C22H14ClNO5) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. Halogen substitution raises its density and boiling point, 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.
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), 2-[(2E)-3-(4-Chlorophenyl)prop-2-enoyl]phenyl 3-nitrobenzoate 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 | C22H14ClNO5 |
| Molecular Weight | 407.80 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 methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Related E Standards
- 2-[(2E)-3-(4-Chlorophenyl)prop-2-enoyl]phenyl 4-nitrobenzoate (CAS 301194-74-1)
- 4-[(2E)-3-(3-Chlorophenyl)prop-2-enoyl]phenyl 3-nitrobenzoate (CAS 298216-10-1)
- 1214716-48-9 3-(4-chlorophenyl)-2-({[3-(trifluoromethyl)phenyl]sulfonyl}amino)propanoic acid KS-00002Z32 (CAS 1214716-48-9)
- (E)-{[2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methylidene}amino 4-fluorobenzoate (CAS 478257-20-4)
- 2-(4-(4-Chlorophenyl)-1-oxophthalazin-2(1H)-yl)-N-(4-fluorophenyl)acetamide (CAS 684234-60-4)
- N-(2-Chlorophenyl)-1-(4-fluorobenzyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide (CAS 946331-46-0)
- N-(4-((2-chlorophenyl)sulfonyl)phenyl)-2,6-difluorobenzamide (CAS 339105-40-7)
- 2-((3-Chlorophenyl)amino)-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide (CAS 667905-37-5)
Recommended Standards
- 2-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)thio)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine (CAS 338775-17-0)
- 2-((2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)amino)-2-oxoethyl 3-chloro-4,5-dimethoxybenzoate (CAS 854135-23-2)
- N-(3-(1,1,1,5,5,5-Hexamethyl-3-((trimethylsilyl)oxy)trisiloxan-3-yl)propyl)acrylamide (CAS 115258-10-1)
- Ethyl 1,5-dimethyl-4,6-dioxo-2,4,5,6-tetrahydro-1H-pyrazolo[3,4-d]pyrimidine-3-carboxylate (CAS 7354-92-9)
- 1,3-Dimethyl-2-(3,7-dimethyloctyl)cyclohexane (CAS 19550-61-9)
- 4-Amino-2-fluoro-5-nitro-benzoic acid (CAS 807327-07-7)
- N-(4,6-Difluorobenzo[d]thiazol-2-yl)-2-fluorobenzamide (CAS 797005-28-8)
- 2,4-Dichlorophenyl 4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}benzene-1-sulfonate (CAS 338400-30-9)
- 2-Propenoic acid, 2-methyl-, methyl ester, polymer with butyl 2-propenoate and 2-propenenitrile (CAS 27340-76-7)
- 3-Ethylbenzo[d]thiazol-2(3H)-imine (CAS 53641-17-1)
- Zolmitriptan EP Impurity F (CAS 139264-69-0)
- 3-Chloro-9H-pyrido[2,3-b]indole (CAS 74896-05-2)
- 1-(4-(tert-Butyl)benzyl)-1H-indole-3-carbaldehyde (CAS 405274-91-1)
- Tau Peptide (245-274) (Repeat 1 Domain) trifluoroacetate salt (CAS 1428134-39-7)
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