Introduction：Basic information about 4-Nitrobenzenesulfonyl chloride CAS 98-74-8, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
4-Nitrobenzenesulfonyl chloride Basic information
| Product Name: | 4-Nitrobenzenesulfonyl chloride |
| Synonyms: | 4-nitro-benzenesulfonylchlorid;4-Nitrophenylsulfonyl chloride;p-Nitrobenzenesulfonic acid chloride;4-Nitrobenzenesulfonyl chloride,95%;4-Nitrobenzenesulfonyl chloride, 95% 25GR;The nitrobenzene sulfonyl chloride;5-Nitrobenzenesulfonyl chloride;4-Nitrobenzenesulfonyl chloride ,99% |
| CAS: | 98-74-8 |
| MF: | C6H4ClNO4S |
| MW: | 221.62 |
| EINECS: | 202-697-9 |
| Product Categories: | Dyestuff Intermediates;Phenyls & Phenyl-Het;Sulphonyl Chlorides;Organic Building Blocks;Sulfonyl Halides;Sulfur Compounds;Phenyls & Phenyl-Het;Sulphonyl Chlorides;Benzene derivatives;Benzene series;98-74-8 |
| Mol File: | 98-74-8.mol |
|
4-Nitrobenzenesulfonyl chloride Chemical Properties
| Melting point | 75 °C |
| Boiling point | 143-144 °C (1.5002 mmHg) |
| density | 1.602 (estimate) |
| vapor pressure | 0.009Pa at 20℃ |
| refractive index | 1.6000 (estimate) |
| Fp | 143-144°C/1.5mm |
| storage temp. | Store below +30°C. |
| solubility | soluble in Toluene |
| form | Powder |
| color | yellow |
| PH | 1 (H2O, 20℃) |
| Water Solubility | Insoluble |
| Sensitive | Moisture Sensitive |
| BRN | 746543 |
| Stability: | Moisture Sensitive |
| InChI | 1S/C6H4ClNO4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4H |
| InChIKey | JXRGUPLJCCDGKG-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1ccc(cc1)S(Cl)(=O)=O |
| LogP | 2.1 at 20℃ |
| CAS DataBase Reference | 98-74-8(CAS DataBase Reference) |
| NIST Chemistry Reference | 4-Nitrobenzenesulphonyl chloride(98-74-8) |
| EPA Substance Registry System | Benzenesulfonyl chloride, 4-nitro- (98-74-8) |
Safety Information
| Hazard Codes | C |
| Risk Statements | 34-52/53 |
| Safety Statements | 26-36/37/39-45-61 |
| RIDADR | UN 3261 8/PG 2 |
| WGK Germany | 3 |
| F | 21 |
| Hazard Note | Corrosive/Moisture Sensitive |
| TSCA | TSCA listed |
| HazardClass | 8 |
| PackingGroup | II |
| HS Code | 29049085 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Dam. 1
Repr. 2
Skin Sens. 1A |
4-Nitrobenzenesulfonyl chloride Usage And Synthesis
| Chemical Properties | yellow to brown powder |
| Uses | 4-Nitrobenzenesulfonyl Chloride is used in the preparation of N-Nosyl-α-amino acid for peptide synthesis. |
| Uses | 4-Nitrobenzenesulfonyl chloride is used as an intermediate for the synthesis of pharmaceuticals like foscmprenavir, darunavir and amprenavir. It is involved in the preparation of N-nosyl-alpha-amino acid for peptide synthesis. It is also used for stereoselective α-glucosylation of partially protected carbohydrates in association with silver tri-fluoromethanesulfonate, N,N-dimethylacetamide and triethylamine. It is widely used for the synthesis of hydroxylamines of sulfadiazine, sulfamethoxazole and [Cu(bipy)2Cl](nbs) (1) (bipy = 2,2'-bipyridine, nbs = 4-nitrobenzenesulfonate). |
| Uses | 4-Nitrobenzenesulfonyl chloride was used in the synthesis of
- [Cu(bipy)2Cl](nbs) (1) (bipy = 2,2′-bipyridine, nbs = 4-nitrobenzenesulfonate)
- hydroxylamines of sulfadiazine and sulfamethoxazole
- solution phase peptide using N-nosyl-α-amino acids.
|
| Production Methods | 4,4'-Dinitrodiphenyldisulfide [100-32-3], produced by reaction of 4-chloronitrobenzene with sodium disulfide, is treated with chlorine in HCl – HNO3 by a process similar to that used for 2-nitrobenzenesulfonyl chloride. |
| Flammability and Explosibility | Not classified |
4-Nitrobenzenesulfonyl chloride Preparation Products And Raw materials
| Raw materials | Nitric acid-->DIPHENYL DISULFIDE |
| Preparation Products | Benazepril-->1-(4-NITROBENZENESULFONYL)-1H-1,2,4-TRIAZOLE-->4-Nitrobenzenesulfonamide-->Sulfisoxazole-->Sulfapyridine-->Sulfamonomethoxine-->4-Nitrophenylboronic acid pinacol ester-->METHYL 4-NITROBENZENESULFONATE-->4-AMINO-N-ETHYL-BENZENESULFONAMIDE-->DE-6-->R-2-METHYL GLYCIDYL P-NOSYLATE-->sulfapyrazole-->4-(MORPHOLINE-4-SULFONYL)-PHENYLAMINE |
