(E)-3-(4-Chlorobenzylidene)isobenzofuran-1(3H)-one CAS 94801-28-2
| CAS No. | 94801-28-2 |
| Molecular Formula | C15H9ClO2 |
| Molecular Weight | 256.68 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including (E)-3-(4-Chlorobenzylidene)isobenzofuran-1(3H)-one.
(E)-3-(4-Chlorobenzylidene)isobenzofuran-1(3H)-one (CAS 94801-28-2), molecular formula C15H9ClO2 and molecular weight 256.68 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, a polycyclic aromatic system, (E)-3-(4-Chlorobenzylidene)isobenzofuran-1(3H)-one is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 256.68 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.
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.
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.
Physical & Chemical Properties
| Molecular Formula | C15H9ClO2 |
| Molecular Weight | 256.68 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| 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.) | 1984 |
| Halogen Content | Cl-containing |
Related E Standards
- 2-(2-Chlorobenzylidene)benzofuran-3(2H)-one (CAS 61370-64-7)
- 2-(3-Chlorobenzylidene)benzofuran-3(2H)-one (CAS 61370-68-1)
- (4E)-4-(2-Chlorobenzylidene)-3-(chloromethyl)-isoxazol-5(4H)-one 1142198-91-1 9221AC C11H7Cl2NO2 (CAS 1142198-91-1)
- (E)-4-(3-chlorobenzylidene)-3-(chloromethyl)isoxazol-5(4H)-one (CAS 1142198-92-2)
- (4E)-4-(4-Chlorobenzylidene)-3-(chloromethyl)-isoxazol-5(4H)-one (CAS 1142198-93-3)
- (E)-5-(3-Chlorobenzylidene)-2-mercaptothiazol-4(5H)-one (CAS 1784763-10-5)
- (5E)-5-(2-Chlorobenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one (CAS 81154-00-9)
- (5E)-5-(4-Chlorobenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one (CAS 81154-18-9)
Recommended Standards
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- 1-Chloro-4-methylanthracene-9,10-dione (CAS 7477-59-0)
- 1-(((5-Fluoro-2-methylphenyl)amino)methyl)cyclopentan-1-ol (CAS 1466670-69-8)
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- 204571-13-1 Copper(1+) (~15~N)cyanide DTXSID20583688 (CAS 204571-13-1)
- 2-Fluoro-6-hydroxybenzoic Acid (CAS 67531-86-6)
- H-D-Homopro-OH (CAS 1723-00-8)
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