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4-Nitrobenzolsulfonsure
p-Nitrobenzenesulfonic acid · 4-NITROBENZENESULFONIC ACID HYDRATE · 4-nitrobenzenesulfonate · NSC 5376 · Zidovudine impurity J · p-Nitrobenzenesulfonic · p-Nitrobenzenesulfonate · 4-nitro-benzenesulfonicaci
Identifikatoren & physikalische Daten
| CAS No. | 138-42-1 |
|---|---|
| Summenformel | C6H5NO5S |
| Durchschnittliche Molmasse | 203,17 g/mol |
| Monoisotopische Masse | 202,98884343 g/mol |
| SMILES | O=[N+]([O-])c1ccc(S(=O)(=O)O)cc1 |
| InChIKey | SPXOTSHWBDUUMT-UHFFFAOYSA-N |
| PubChem CID | 8740 |
| EC No. | 205-329-5 |
| DTXSID | DTXSID3059682 |
| Lokaler Name | 4-Nitrobenzolsulfonsure |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 109 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 279 |
| Physical Description | Nearly white solid[Acros Organics MSDS] |
| Schmelzpunkt | 105-112 °C |
| Dichte | 1.548 (estimate) |
| Brechungsindex | 1.5380 (estimate) |
| Lagerbedingungen | -20°C Freezer, Under inert atmosphere |
| Löslichkeit | DMSO (Slightly, Sonicated), Water (Slightly)476g/L(100.5 ºC) |
| pKa (Säurekonstante) | -1.38±0.50(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | Beige to yellow-orange |
| CAS Datenbank | 138-42-1(CAS DataBase Reference) |
| EPA chemische Informationen | Benzenesulfonic acid, 4-nitro- (138-42-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H317 (33.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]H318 (66.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P260, P261, P264, P264+P265, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Gefahrenübersicht | Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Acros Organics MSDS] See 2-Methyl-5-nitrobenzenesulfonic acid, 3-Nitrobenzenesulfonic acid, and Sodium 3-nitrobenzenesulfonate. |
| Hazard Classes and Categories | Skin Corr. 1B (100%)Skin Sens. 1 (33.3%)Eye Dam. 1 (66.7%) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns.Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors. |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2305 (NITROBENZENESULPHONIC ACID) |
| Zollcode | 29049090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi,C |
| hazard_note | Corrosive/Irritant |
| Sicherheitshinweise (S) | 37/39-26 |
| Gefahrenklasse | 8 |
| Verpackungsgruppe | II |
Anwendungen & Verwendung
Verwenden
4-Nitrobenzenesulfonic acid is less important than the ortho and meta isomers because sulfanilic acid and its derivatives are readily available from aniline and acetanilide.
Verwenden
4-Nitrobenzenesulfonic acid is used in the preparation of diaryl compounds as antiviral agents.