3529-82-6 Benzene, 1-isothiocyanato-3-nitro- Isothiocyanic acid, m-nitrophenyl ester 3-12-00-01573 (Beilstein Handbook Reference) BRN 2094061 1-Isothiocyanato-3-nitrobenzene m-Nitrophenyl isothiocyanate 3-Nitrophenyl isothiocyanate CAS 3529-82-6
| CAS No. | 3529-82-6 |
| Molecular Formula | C7H10N2O2S |
| Molecular Weight | 186.23 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies 3529-82-6 Benzene, 1-isothiocyanato-3-nitro- Isothiocyanic acid, m-nitrophenyl ester 3-12-00-01573 (Beilstein Handbook Reference) BRN 2094061 1-Isothiocyanato-3-nitrobenzene m-Nitrophenyl isothiocyanate 3-Nitrophenyl isothiocyanate (CAS 3529-82-6), a certified reference material (molecular formula C7H10N2O2S, MW 186.23 g/mol) for analytical method development and quality control.
Owing to an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system, 3529-82-6 Benzene, 1-isothiocyanato-3-nitro- Isothiocyanic acid, m-nitrophenyl ester 3-12-00-01573 (Beilstein Handbook Reference) BRN 2094061 1-Isothiocyanato-3-nitrobenzene m-Nitrophenyl isothiocyanate 3-Nitrophenyl isothiocyanate is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 186.23 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C7H10N2O2S |
| Molecular Weight | 186.23 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 |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1958 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Benzene Standards
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