3-(2-chloro-6-fluorobenzyl)-7-[(dimethoxyphosphorothioyl)oxy]-4-propyl-2H-chromen-2-one CAS 680214-79-3
| CAS No. | 680214-79-3 |
| Molecular Formula | C21H21ClFO5PS |
| Molecular Weight | 470.88 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 3-(2-chloro-6-fluorobenzyl)-7-[(dimethoxyphosphorothioyl)oxy]-4-propyl-2H-chromen-2-one.
3-(2-chloro-6-fluorobenzyl)-7-[(dimethoxyphosphorothioyl)oxy]-4-propyl-2H-chromen-2-one (CAS 680214-79-3), molecular formula C21H21ClFO5PS and molecular weight 470.88 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C21H21ClFO5PS, 3-(2-chloro-6-fluorobenzyl)-7-[(dimethoxyphosphorothioyl)oxy]-4-propyl-2H-chromen-2-one contains a flavonoid core, a sulfone group, a phosphate ester group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 470.88 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C21H21ClFO5PS |
| Molecular Weight | 470.88 g/mol |
| 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) | 10.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F/Cl-containing |
| Sulfur Atoms | 1 |
Related chloro Standards
- 6-Chloro-3-(2-((2-(5-fluoro-1H-indol-3-yl)ethyl)amino)-2-oxoethyl)-4-methyl-2-oxo-2H-chromen-7-yl acetate (CAS 903856-14-4)
- 4-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)-N-(4-isopropylphenyl)benzenesulfonamide (CAS 338775-57-8)
- 4-(4-(4-(2-Chloro-4-nitrophenyl)piperazine-1-carbonyl)-5-methylisoxazol-3-yl)benzoic acid (CAS 1415559-66-8)
- N-(2-chloro-5-(trifluoromethyl)phenyl)-2-((4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 333423-33-9)
- 5-Chloro-N-(2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)-4-(3-nitrophenoxy)pyrimidin-2-amine (CAS 1213269-25-0)
- (8-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-1-oxa-4,8-diazaspiro[4.5]Decan-4-yl)(4-nitrophenyl)methanone (CAS 338761-08-3)
- 5-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)(methyl)amino)-3-(4-methoxyphenyl)-2-methyltetrahydro-4H-pyrrolo[3,4-d]isoxazole-4,6(5H)-dione (CAS 317821-85-5)
- 5-Acetyl-1-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)(methyl)amino)-3-(4-fluorobenzyl)pyrimidine-2,4(1H,3H)-dione (CAS 338399-39-6)
Recommended Standards
- Tivozanib Impurity 20 (CAS CATO-C4X-340020)
- N-(3,5-Bis(trifluoromethyl)phenyl)-2-((5-chlorobenzo[d]thiazol-2-yl)thio)acetamide (CAS 399009-85-9)
- Docos-21-en-1-yltriethoxysilane (CAS 330457-44-8)
- Rebamipide Impurity 43 (CAS 1028268-32-7)
- 2,4-Dichloro-5-[(3-methylphenyl)sulfamoyl]benzoic acid (CAS 380341-41-3)
- 3-(2-Bromophenyl)-5-(2-fluorophenyl)-1,2,4-oxadiazole (CAS 1000339-25-2)
- (2E)-2-({[(4-methoxyphenyl)methyl]amino}methylidene)-3,4-dihydro-2H-1,4-benzothiazin-3-one (CAS 338416-81-2)
- 1-(3-Methylbutyl)-1H-indole-2,3-dione (CAS 379254-50-9)
- 2-Amino-5-(difluoromethyl)-3-methoxyisonicotinonitrile (CAS 1806792-45-9)
- 3-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-mercapto-7-methyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one (CAS 588715-20-2)
- D-Glucose-6-13C (CAS 106032-62-6)
- Bis(2,3-dibromopropyl) Phosphate (CAS 5412-25-9)
- 4-(6-Fluoropyridin-2-yl)morpholine (CAS 1248137-75-8)
- 59880-97-6 Chemotactic peptide F-Met-Leu-Phe L-Phenylalanine, N-(N-(N-formyl-L-methionyl)-L-leucyl)- N-Formyl-L-methionyl-L-leucyl-L-phenylalanine N-Formyl-Met-Leu-Phe N-Formylmethionine leucyl-phenylalanine fMLF fMLP (misnomer but widely used) (CAS 59880-97-6)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com