5-(Isocyanatomethyl)-2H-1,3-benzodioxole CAS 71217-46-4
| CAS No. | 71217-46-4 |
| Molecular Formula | C9H7NO3 |
| Molecular Weight | 177.16 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
5-(Isocyanatomethyl)-2H-1,3-benzodioxole (CAS 71217-46-4) is a high-purity analytical reference standard with the molecular formula C9H7NO3 and a molecular weight of 177.16 g/mol.
Based on its molecular formula C9H7NO3, 5-(Isocyanatomethyl)-2H-1,3-benzodioxole contains an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 177.16 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C9H7NO3 |
| Molecular Weight | 177.16 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| 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 |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1977 |
| Nitrogen Atoms | 1 |
Related Isocyanatomethyl Standards
- 3-(isocyanatomethyl)-1λ⁶-thiolane-1,1-dione (CAS 28800-41-1)
- 1-(Isocyanatomethyl)naphthalene (CAS 61924-27-4)
- 1-(Isocyanatomethyl)-4-methoxybenzene 4-Methoxybenzyl isocyanate 56651-60-6 (CAS 56651-60-6)
- 1-(Isocyanatomethyl)-3-methoxybenzene 57198-56-8 5850AE C9H9NO2 (CAS 57198-56-8)
- 3-(Isocyanatomethyl)-1,3-diazinane-2,4-dione (CAS 861359-45-7)
- 1,2-Bis(isocyanatomethyl)benzene (CAS 25854-16-4)
- 1-(Isocyanatomethyl)-2-methoxybenzene (CAS 93489-08-8)
- methyl 4-(isocyanatomethyl)benzoate (CAS 78915-52-3)
Recommended Standards
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- Cyclo(-Ala-Gln) (CAS 268221-76-7)
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- Liraglutide Impurity 17 TFA Salt (CAS CATO-C4X-199217)
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