(E)-2-[(4-chlorophenyl)sulfonyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenenitrile CAS 929982-16-1
| CAS No. | 929982-16-1 |
| Molecular Formula | C16H9ClN2O6S |
| Molecular Weight | 392.77 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 392.77 g/mol gives (E)-2-[(4-chlorophenyl)sulfonyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenenitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
(E)-2-[(4-chlorophenyl)sulfonyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenenitrile (CAS 929982-16-1), molecular formula C16H9ClN2O6S and molecular weight 392.77 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, (E)-2-[(4-chlorophenyl)sulfonyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenenitrile (C16H9ClN2O6S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 392.77 g/mol, it falls into the moderately-high-molecular-weight range. 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).
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 | C16H9ClN2O6S |
| Molecular Weight | 392.77 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- N-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-4-methyl-2-phenylpyrimidine-5-carboxamide (CAS 338406-23-8)
- 1-Decene, polymer with 1-octene, hydrogenated (CAS 66070-54-0)
- Methyl 2-(4-chlorophenyl)-4-oxo-4-[4-(trifluoromethyl)phenyl]butanoate (CAS 882748-10-9)
- 6-Fluoroisoquinolin-3(2H)-one (CAS 51463-15-1)
- 1-(2-Ethoxyethoxy)propan-2-ol (CAS 104562-42-7)
- 2-(3-Ethyl-[1,2,4]triazolo[3,4-b][1,3,4]-thiadiazol-6-yl)-phenylamine (CAS 874591-55-6)
- tert-Butyl (5-chlorobenzo[d]isoxazol-3-yl)carbamate (CAS 1344687-82-6)
- 1-N-Benzyl-2-bromobenzene-1,4-diamine (CAS 1248984-11-3)
- 2-(3-methylbutyl)-2,3-dihydro-1H-isoindol-4-amine (CAS 1099643-59-0)
- Tert-butyl (2-iodo-4-methoxyphenyl)carbamate (CAS 157496-75-8)
- Pentadecanoic-15,15,15-d3 Acid (CAS 352431-40-4)
- a2,3-Sialylglycopeptide (CAS 189035-43-6)
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