5-(Chloromethyl)-3-(4-nitrobenzyl)-1,2,4-oxadiazole CAS 54042-98-7
| CAS No. | 54042-98-7 |
| Molecular Formula | C10H8ClN3O3 |
| Molecular Weight | 253.64 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 253.64 g/mol gives 5-(Chloromethyl)-3-(4-nitrobenzyl)-1,2,4-oxadiazole distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
5-(Chloromethyl)-3-(4-nitrobenzyl)-1,2,4-oxadiazole (CAS 54042-98-7) is a high-purity analytical reference standard with the molecular formula C10H8ClN3O3 and a molecular weight of 253.64 g/mol.
Based on its molecular formula C10H8ClN3O3, 5-(Chloromethyl)-3-(4-nitrobenzyl)-1,2,4-oxadiazole contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 253.64 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.
As a certified reference material (CRM), 5-(Chloromethyl)-3-(4-nitrobenzyl)-1,2,4-oxadiazole meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C10H8ClN3O3 |
| Molecular Weight | 253.64 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1972 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
Related Chloromethyl Standards
- 1142199-74-3 (4E)-3-(Chloromethyl)-4-(3,4-dihydroxybenzylidene)isoxazol-5(4H)-one MFCD12027825 (CAS 1142199-74-3)
- 2-(Chloromethyl)-5-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazole (CAS 298187-48-1)
- 6-(Chloromethyl)-2-n-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine (CAS 105704-32-3)
- Methyl 6-(chloromethyl)-4-(trifluoromethyl)picolinate (CAS 1393543-87-7)
- Methyl 2-(chloromethyl)-6-(trifluoromethyl)isonicotinate (CAS 1393560-74-1)
- 2-(Chloromethyl)-6-(difluoromethyl)-4-fluoropyridine-3-acetic acid (CAS 1804380-14-0)
- 2-(Chloromethyl)-3-(difluoromethyl)-4-fluoropyridine-5-acetic acid (CAS 1805057-08-2)
- 2-(Chloromethyl)-3-(difluoromethyl)-5-fluoropyridine-6-acetic acid (CAS 1805446-03-0)
Recommended Standards
- 5-(4-Chlorophenoxy)-1-methyl-4-nitro-1H-imidazole (CAS 95862-50-3)
- 5-Chloro-4-(methoxycarbonyl)-1H-indole-7-carboxylic acid (CAS 2316697-67-1)
- 5-(3-Chloro-4-methoxyphenyl)isoxazole-3-carboxylic acid (CAS 912763-92-9)
- 5-Chloro-4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxylic acid (CAS 335640-50-1)
- 3'-Bromobiphenyl-3-carboxylic acid (CAS 854237-06-2)
- (2-isopropyloxazol-5-yl)boronic acid (CAS 2408430-16-8)
- 5-methoxy-1H-1,6-naphthyridin-2-one (CAS 2759139-38-1)
- Ethyl 2-(4-hydroxyphenyl)-2-(N-methylacetamido)acetate (CAS 1008946-23-3)
- (Z)-2-(2-((6-Amino-9H-purin-9-yl)methyl)cyclobutylidene)ethanol (CAS 918415-35-7)
- N-(4-(4-Methoxyphenyl)thiazol-2-yl)-3-methylisoxazole-5-carboxamide (CAS 930410-33-6)
- N-(Benzo[d][1,3]dioxol-5-ylmethyl)-2,5-dimethylbenzenesulfonamide (CAS 312526-05-9)
- 2-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)thio)acetic acid (CAS 338422-73-4)
- Telmisartan Impurity 23 (CAS 84859-27-8)
- Influenza PR8 Hemagglutinin Peptide (110-119) (H-6312.0005) (CAS 132031-50-6)
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