1-[(2-Chloro-6-fluorophenyl)methoxy]-2-(2-chlorophenyl)-1H-1,3-benzodiazole CAS 400086-39-7
| CAS No. | 400086-39-7 |
| Molecular Formula | C20H13Cl2FN2O |
| Molecular Weight | 387.23 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 1-[(2-Chloro-6-fluorophenyl)methoxy]-2-(2-chlorophenyl)-1H-1,3-benzodiazole 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.
CATO supplies 1-[(2-Chloro-6-fluorophenyl)methoxy]-2-(2-chlorophenyl)-1H-1,3-benzodiazole (CAS 400086-39-7), a certified reference material (molecular formula C20H13Cl2FN2O, MW 387.23 g/mol) for analytical method development and quality control.
Based on its molecular formula C20H13Cl2FN2O, 1-[(2-Chloro-6-fluorophenyl)methoxy]-2-(2-chlorophenyl)-1H-1,3-benzodiazole contains a steroid core, an amide 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 387.23 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 | C20H13Cl2FN2O |
| Molecular Weight | 387.23 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
Related Chloro Standards
- Ethyl 3-chloro-4-((2-chloro-4-fluorobenzyl)oxy)-5-ethoxybenzoate (CAS 1706452-96-1)
- 1-((2-Chloro-6-fluorobenzyl)oxy)-2-(4-chlorophenyl)-1H-benzo[d]imidazole (CAS 338791-32-5)
- 1-(2-Chloro-6-fluorobenzyl)-4-(2-(4-chlorophenyl)acetyl)-1H-pyrrole-2-carbonitrile (CAS 551931-12-5)
- 6-Chloro-1-[(2-chloro-6-fluorophenyl)methoxy]-2-phenyl-1H-1,3-benzodiazole (CAS 303148-71-2)
- (2-Chloro-1,3-thiazol-5-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate (CAS 478064-72-1)
- 2-Chloro-3-(4-(3-chlorophenyl)piperazin-1-yl)naphthalene-1,4-dione (CAS 179121-03-0)
- 5-Chloro-1-(4-chlorobenzyl)-N-methyl-6-oxo-N-phenyl-1,6-dihydropyridine-3-carboxamide (CAS 339024-77-0)
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Recommended Standards
- 1-(4-Bromophenyl)-N-(4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide (CAS 866872-70-0)
- 2-Bromo-N-(isoquinolin-5-yl)-4,5-dimethoxybenzamide (CAS 917596-84-0)
- 3-(2-(4-Bromophenyl)-2-oxoethyl)-5-methyl-5-phenylimidazolidine-2,4-dione (CAS 956393-88-7)
- 3-(2,4-Dichlorophenyl)-5-((2,6-difluorobenzyl)thio)-4H-1,2,4-triazol-4-amine (CAS 586998-81-4)
- 5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine (CAS 49873-11-2)
- Fadolmidine Methyl Ester (CAS 189353-92-2)
- Methyl (3-((4-chloro-N-methylphenyl)sulfonamido)thiophene-2-carbonyl)glycinate (CAS 1251549-87-7)
- Annomontacin (CAS 137550-92-6)
- Soyasaponin Bd (CAS 135272-91-2)
- 3-[[[3,5-Bis(trifluoromethyl)phenyl]methyl]amino]-4-[[(1R,2R)-2-(1-piperidinyl)cyclohexyl]amino]-3-cyclobutene-1,2-dione (CAS 1223105-93-8)
- 1-(3-Hydroxy-5-methylphenyl)ethanone (CAS 43113-93-5)
- Methyl 2-ethylnicotinate (CAS 127067-17-8)
- (4-Methoxybenzyl)(triphenyl)phosphonium bromide (CAS 1530-38-7)
- Peptide Fmoc-Thi-Thi-OH (CAS CATO-CPTD788552)
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