3-Isocyanatobenzenesulfonyl fluoride CAS 402-36-8
| CAS No. | 402-36-8 |
| Molecular Formula | C7H4FNO3S |
| Molecular Weight | 201.17 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 201.17 g/mol gives 3-Isocyanatobenzenesulfonyl fluoride distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
3-Isocyanatobenzenesulfonyl fluoride (CAS 402-36-8) is a high-purity analytical reference standard with the molecular formula C7H4FNO3S and a molecular weight of 201.17 g/mol.
3-Isocyanatobenzenesulfonyl fluoride (C7H4FNO3S) contains an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.
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 | C7H4FNO3S |
| Molecular Weight | 201.17 g/mol |
| 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, water |
| 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1957 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Recommended Standards
- 3-amino-3-(3,5-difluorophenyl)propanoic acid (CAS 682804-73-5)
- 4-(Dimethylamino)-3,5-difluorobenzoic acid (CAS 244134-21-2)
- 3-Amino-3-(3,4-difluorophenyl)propanoic acid (CAS 682804-05-3)
- 4-Ethoxy-2,6-difluorobenzamide (CAS 916483-57-3)
- 2-(4-Chloro-1H-pyrazol-1-yl)propanamide (CAS 1205841-05-9)
- 3-Chlorosulfonyl-4-(2-hydroxy-phenyl)-5-trifluoro-methyl-thiophene-2-carboxylic acid methyl ester (CAS 1431555-15-5)
- Ethyl 2-amino-6-tert-Butyl-1-benzothiophene-3-carboxylate (CAS 438228-39-8)
- 5-Hydroxy-4-methyl-1,5-dihydro-2H-pyrrol-2-one (CAS 79641-88-6)
- 2-Bromo-3-methoxypropanoic acid (CAS 65090-78-0)
- Hexanedioic acid, polymer with 1,6-hexanediol (CAS 25212-06-0)
- (3R,4R,5S)-Tert-butyl 4-(((benzyloxy)carbonyl)amino)-3-hydroxy-5-methylheptanoate (CAS 2381984-86-5)
- 3-Bromo-3-(2,6-dimethylphenyl)propiophenone (CAS 898754-64-8)
- 5-(Difluoromethyl)-2-methylbenzonitrile (CAS 1261618-13-6)
- Semaglutide impurity 108 (CAS CATO-C4X-2226108)
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