HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Natrium-3-nitrobenzolsulfonat
SODIUM 3-NITROBENZENESULFONATE · RESIST SALT · 3-NITROBENZENESULFONIC ACID SODIUM SALT · SODIUM M-NITROBENZENESULFONATE · 3-Nitrobenzenesulfonate · ludigol · 3-nitrobenzenesulphonate · tiskan
Identifikatoren & physikalische Daten
| CAS No. | 127-68-4 |
|---|---|
| Summenformel | C6H4NNaO5S |
| Durchschnittliche Molmasse | 225,16 g/mol |
| Monoisotopische Masse | 224,97078751 g/mol |
| SMILES | O=[N+]([O-])c1cccc(S(=O)(=O)[O-])c1.[Na+] |
| InChIKey | LJRGBERXYNQPJI-UHFFFAOYSA-M |
| PubChem CID | 31389 |
| ChEMBL | CHEMBL3188704 |
| EC No. | 204-857-3 |
| DTXSID | DTXSID2027048 |
| Lokaler Name | Natrium-3-nitrobenzolsulfonat |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 111 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 274 |
| Stoffklassen | Nitrogen Compounds -> Nitrobenzesulfonic Acids |
| Kosmetika | Cosmetic ingredients (Sodium m-Nitrobenzenesulfonate) -> CIR (Cosmetic Ingredient Review)Viscosity controlling |
| Schmelzpunkt | 350 °C |
| Physical Description | Other SolidDry PowderLarge CrystalsLiquid[IUCLID] Slightly yellow powder[MSDSonline] |
| Siedepunkt | 217.5°C |
| Dichte | 0.45 g/cm3 (20 °C) |
| Dampfdruck | 10.3Pa at 25℃ |
| Flammpunkt | 100 °C |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | water: soluble50mg/mL, clear to slightly hazy, faintly yellow to yellow200 g/L (20 ºC) |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 0[at 20 ℃] |
| Farbe | Light yellow |
| pH | 8 (50g/l, H2O, 23℃) |
| BRN | 3639982 |
| Stabilität | Stable. Hygroscopic. Incompatible with strong oxidizing agents. |
| Kosmetik-Inhaltsstoffe Funktionen | VISCOSITY CONTROLLING |
| InChI | 1S/C6H5NO5S.Na/c8-7(9)5-2-1-3-6(4-5)13(10,11)12/h1-4H,(H,10,11,12)/q+1/p-1 |
| InChIKey | LJRGBERXYNQPJI-UHFFFAOYSA-M |
| SMILES | [Na+].[O-][N+](=O)c1cccc(c1)S([O-])(=O)=O |
| LogP (Verteilungskoeffizient) | -2.61 at 25℃ |
| CAS Datenbank | 127-68-4(CAS DataBase Reference) |
| EPA chemische Informationen | Sodium 3-Nitrobenzenesulfonate (127-68-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH317: May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for 7.5% (54 of 724) of reports.H317 (92.5%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
|---|---|
| Regulatorische Informationen | Chemical: Benzenesulfonic acid, 3-nitro-, sodium saltBenzenesulfonic acid, 3-nitro-, sodium salt (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonic acid, 3-nitro-, sodium salt (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 09-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/157923-Nitrobenzenesulphonic acid sodium salt: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | May cause skin sensitization after prolonged contact, based on animal studies[IUCLID] An eye irritantMay cause skin sensitization[MSDSonline] |
| Hazard Classes and Categories | Skin Sens. 1 (92.5%)Eye irritation - category 2Serious eye damage/eye irritation - Category 2Eye Irrit. 2 |
| Protective Action Criteria (PAC) | 33 [mg/m3]360 [mg/m3]2200 [mg/m3] |
| Toxizitätsübersicht | The CIR Expert Panel concludes that the data available on Sodium m-Nitrobenzenesulfonate are insufficient to support the safety of this ingredient as used in cosmetic products.Ingredients for which the data are insufficient and their use in cosmetics is not supported |
| Toxicity Data | LC50 (rat) > 5,100 mg/m3/4h |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29049085 |
| RTECS-Nr. | DB7195000 |
| R-Sätze (R) | 36-43 |
| Toxizität | LD50 orally in Rabbit: > 2000 mg/kg |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24-26-37 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrstoffdaten | 127-68-4(Hazardous Substances Data) |
| Gefahrenklasse | Eye Irrit. 2Skin Sens. 1 |
| Selbstentzündungstemperatur | 355 °C |
Anwendungen & Verwendung
Verwenden
Sodium 3-nitrobenzenesulfonate is a reagent in the synthesis of azetidinyl ketolides for treatment of susceptible and multidrug resistant community-acquired respiratory tract infections.