1-chloro-5-(2,4-dichlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene CAS 646498-00-2
| CAS No. | 646498-00-2 |
| Molecular Formula | C13H6Cl2F3NO3 |
| Molecular Weight | 352.09 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 352.09 g/mol gives 1-chloro-5-(2,4-dichlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
1-chloro-5-(2,4-dichlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene (CAS 646498-00-2), molecular formula C13H6Cl2F3NO3 and molecular weight 352.09 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 1-chloro-5-(2,4-dichlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene (C13H6Cl2F3NO3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 352.09 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.
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 | C13H6Cl2F3NO3 |
| Molecular Weight | 352.09 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, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
Related chloro Standards
- 1-chloro-5-(4-chlorophenoxy)-4-nitro-2-(trifluoromethyl)benzene (CAS 646497-98-5)
- 4-Chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl 4-aminobenzoate (CAS 1160264-24-3)
- (E)-3-Chloro-2-((2-chlorobenzylidene)amino)-9H-fluoren-9-one (CAS 6966-99-0)
- 2-((5-Chloro-2-methylphenyl)amino)-2-oxoethyl 2-(4-chlorophenyl)acetate (CAS 380203-08-7)
- 4-Chloro-2-(2-(4-chlorophenyl)-2-oxoethyl)-5-(pyrrolidin-1-yl)pyridazin-3(2H)-one (CAS 477855-92-8)
- 4-(5-Chloro-2-methylphenyl)-N-cyclohexylpiperazine-1-carbothioamide (CAS 499197-62-5)
- 4-(5-Chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol (CAS 721916-31-0)
- 3-(2-Chloro-5-(methylthio)phenyl)-1-methyl-1-(3-(methylthio)phenyl)guanidine (CAS 160754-76-7)
Recommended Standards
- 4-Iodo-1-(4-trifluoromethylbenzyl)-1H-pyrazole (CAS 1485523-65-6)
- 4-iodo-1-methyl-5-(4-(trifluoromethyl)phenyl)-1H-pyrazole (CAS 1356997-76-6)
- 2-(Bromomethyl)-2-(2,4-dichlorophenyl)-4-propyltetrahydrofuran (CAS 89058-48-0)
- Chlorfensulfide (CAS 2274-74-0)
- o-(2-Fluorobenzyl)hydroxylamine (CAS 55418-27-4)
- endo-6a-βAla-Cetrorelix (CAS CATO-C4X-201441)
- 6-Chloro-5-hydroxy-2-methylnicotinic acid (CAS 1949018-63-6)
- 7-Bromo-2-chloroquinazolin-4-amine (CAS 1107695-08-8)
- [2-Methanesulfonyl-1-(2-methylpropyl)-1h-imidazol-5-yl]methanol (CAS 1221342-54-6)
- 4-Bromo-6-methoxyquinolin-3-amine (CAS 872714-60-8)
- (4-Methoxyphenyl)(4-(morpholinomethyl)phenyl)methanone (CAS 898769-72-7)
- 1-(Bicyclo[2.2.1]Heptan-2-yl)ethan-1-amine hydrochloride (CAS 24520-59-0)
- (4R)-5-Ethoxy-4-((R)-1-methylpyrrolidin-2-yl)dihydrofuran-2(3H)-one (CAS 375348-91-7)
- Semaglutide impurity 104(Fmoc-D-His-Aib) (CAS 2171211-18-8)
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