N-(3-chloro-2,6-dimethoxy-5-nitrobenzoyl)-N'-(2,3,4,5,6-pentafluorophenyl)urea CAS 680579-32-2
| CAS No. | 680579-32-2 |
| Molecular Formula | C16H9ClF5N3O6 |
| Molecular Weight | 469.70 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, N-(3-chloro-2,6-dimethoxy-5-nitrobenzoyl)-N'-(2,3,4,5,6-pentafluorophenyl)urea (C16H9ClF5N3O6) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 469.70 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
CATO supplies N-(3-chloro-2,6-dimethoxy-5-nitrobenzoyl)-N'-(2,3,4,5,6-pentafluorophenyl)urea (CAS 680579-32-2), a certified reference material (molecular formula C16H9ClF5N3O6, MW 469.70 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.
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 | C16H9ClF5N3O6 |
| Molecular Weight | 469.70 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
Related N Standards
- 1-[2-Chloro-4-(trifluoromethyl)phenyl]-5-(3,4-dichlorophenyl)-4-methanesulfonyl-1H-pyrazole (CAS 400088-10-0)
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- 1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-N-(2-(trifluoromethyl)phenyl)-1H-pyrrole-2-sulfonamide (CAS 338406-58-9)
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Recommended Standards
- 4-Amino-5-methyl-1-(tetrahydro-2H-pyran-2-yl)pyrimidin-2(1H)-one (CAS 5580-93-8)
- 2-[(4-Bromophenyl)sulfanyl]-6-(3-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile (CAS 338963-35-2)
- 2-((5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(4-chloro-3-nitrophenyl)acetamide (CAS 332154-88-8)
- Methyl (2Z)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-[({[3-(trifluoromethyl)phenyl]carbamoyl}oxy)imino]acetate (CAS 861212-64-8)
- n-(1-(2-Bromophenyl)ethyl)butan-1-amine (CAS 1019490-18-6)
- (4-Chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-acetic acid (CAS 1060794-98-0)
- n-(((9h-Fluoren-9-yl)methoxy)carbonyl)-n-(sec-butyl)glycine (CAS 467215-90-3)
- 3,6-Difluoro-2-(Trifluoromethoxy)benzyl bromide (CAS 2244076-54-6)
- 2-(3-(3-Nitrophenyl)-1H-pyrazol-1-yl)ethan-1-amine (CAS 1019000-80-6)
- 2-Hydroxy-5-phenylnicotinonitrile (CAS 35982-93-5)
- Decahydronaphthalen-2-yl formate (CAS 10519-12-7)
- 3-Thiophenecarboxylicacid, 2-amino-4-[1,1'-biphenyl]-4-yl-, ethyl ester 307343-50-6 CTK4G5782 (CAS 307343-50-6)
- 2-(6-Phenylpyridin-2-yl)acetic acid (CAS 1214323-75-7)
- Insulin Degludec Impurity 10 (CAS CATO-C4X-215710)
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