2-tert-butyl-5-(chloromethyl)-1,3,4-oxadiazole CAS 40016-06-6
| CAS No. | 40016-06-6 |
| Molecular Formula | C7H11ClN2O |
| Molecular Weight | 174.63 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-tert-butyl-5-(chloromethyl)-1,3,4-oxadiazole is closely related to an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2-tert-butyl-5-(chloromethyl)-1,3,4-oxadiazole (CAS 40016-06-6), molecular formula C7H11ClN2O and molecular weight 174.63 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 2-tert-butyl-5-(chloromethyl)-1,3,4-oxadiazole (C7H11ClN2O) is characterized by an amide group, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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), 2-tert-butyl-5-(chloromethyl)-1,3,4-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 | C7H11ClN2O |
| Molecular Weight | 174.63 g/mol |
| Appearance | White to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| 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) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1968 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
Recommended Standards
- 1-tert-butyl-5-(chloromethyl)-1H-1,2,3,4-tetrazole (CAS 75470-92-7)
- 3-(tert-Butyl)-5-(chloromethyl)-1,2,4-oxadiazole (CAS 944901-64-8)
- 1-butyl-5-(chloromethyl)-1H-tetrazole (CAS 37468-43-2)
- 3-amino-5-chloro-6-methylpyrazine-2-carbonitrile (CAS 54632-08-5)
- 4-Methyl-3-oxo-2-(p-tolyl)pentanenitrile (CAS 96514-79-3)
- 3-Fluoro-n-[5-(methylsulfanyl)-4h-1,2,4-triazol-3-yl]benzamide (CAS 1021266-89-6)
- 2-Amino-2-(pyrimidin-5-yl)acetamide (CAS 146422-53-9)
- 5-Bromo-4-chloro-6-cyclopropylpyrimidine (CAS 27192-21-8)
- 6-Methoxy-2H-chromen-2-one (CAS 17372-53-1)
- 6-Ethoxy-5-methylpyridin-3-ol (CAS 1881331-45-8)
- (R)-2-(N-Fmoc-N-methyl-amino)-3-cyclopropylpropanoic acid (CAS 2243125-98-4)
- Ceftizoxime Impurity 6 (CAS CATO-C4X-17936)
- 2-Amino-4-(4-(benzyloxy)-3-methoxyphenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile (CAS 445222-35-5)
- Peptide Impurity 06 (CAS CATO-CPTD788806)
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