Natrium-3-nitrobenzolsulfonat
Sodium 3-nitrobenzenesulfonate
Grundinformationen
- CAS
127-68-4- Standard-SMILES
O=[N+]([O-])c1cccc(S(=O)(=O)[O-])c1.[Na+]- InChIKey
LJRGBERXYNQPJI-UHFFFAOYSA-M- Summenformel
- C6H4NNaO5S
- Durchschnittliche Molmasse
- 225,16 g/mol
- Monoisotopische Masse
- 224,97078751
Überblick
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.
Namen und Bezeichner
- Bevorzugter Name
- Sodium 3-nitrobenzenesulfonate
- IUPAC
- sodium 3-nitrobenzenesulfonate
- Lokaler Name
- Natrium-3-nitrobenzolsulfonat
- Englischer Name
- Sodium 3-nitrobenzenesulphonate
- Summenformel
- C6H4NNaO5S
- Molmasse
- 225.15
Namen und Synonyme
127-68-4SODIUM 3-NITROBENZENESULFONATE3-Nitrobenzenesulfonic acid sodium saltSodium m-nitrobenzenesulfonateTiskan [Czech]LudigolNacanLudigol F,60TiskanBenzenesulfonic acid, 3-nitro-, sodium saltDTXSID20270483-Nitrobenzenesulfonic acid, sodium salt
Weitere Namen anzeigen
RESIST SALT3-Nitrobenzenesulfonate3-nitrobenzenesulphonateM-nitrobenzene sodiuM sulphonatesodium 3-nitrobenzene-1-sulfonate
HSDB 5614m-Nitrobenzenesulfonic acid, sodium saltNSC 9795EINECS 204-857-3Nitrobenzen-m-sulfonan sodnyUNII-1F11SXJ4C6Nitrobenzen-m-sulfonan sodny [Czech]m-Nitrobenzenesulfonic acid sodium salt
Datenbank-Bezeichner
- CAS
127-68-4- PubChem CID
- 31389
- DTXSID
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 111 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 274
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Nitrobenzesulfonic Acids
Cosmetics
Cosmetic ingredients (Sodium m-Nitrobenzenesulfonate) -> CIR (Cosmetic Ingredient Review)
Viscosity controlling
Melting Point350 °C
Physical Description
Other Solid; Dry Powder; Large Crystals; Dry Powder; Large Crystals; Liquid; Other Solid
Solid; [IUCLID] Slightly yellow powder; [MSDSonline]
Physikochemische Eigenschaften
- Schmelzpunkt
- 350 °C · 350 °C
- Siedepunkt
- 217.5 °C · 217.5°C
- Dichte
- 0.45 g/cm3 · 0.45 g/cm3 (20 °C)
- Dampfdruck
- 10.3 Pa · 10.3Pa at 25℃
- Flammpunkt
- 100 °C · 100 °C
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 50 mg/mL, · water: soluble50mg/mL, clear to slightly hazy, faintly yellow to yellow
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H317: 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.
Warning
H317 (92.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Gefahrenhinweise
Regulatory Information
Chemical: Benzenesulfonic acid, 3-nitro-, sodium salt
Benzenesulfonic 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/15792
3-Nitrobenzenesulphonic acid sodium salt: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause skin sensitization after prolonged contact, based on animal studies; [IUCLID] An eye irritant; May cause skin sensitization; [MSDSonline]
Hazard Classes and Categories
Skin Sens. 1 (92.5%)
Eye irritation - category 2
Serious eye damage/eye irritation - Category 2
Eye Irrit. 2
Sicherheit und Schutzausrüstung
Chemie und Industrie
Verwendung und Herstellung
Uses
CIR ingredient: Sodium m-Nitrobenzenesulfonate
Used as antireduction agent; [HSDB] Used in chemical, electrical/electronics, photographic, and textile processing industries (coloring, electroplating, fixing, oxidizing, and surface-active agent); [IUCLID]
Electroplating [Category: Plate]
ANTIREDUCTION AGENT
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesCatalyst
Industry UsesPlating agent
Use ClassificationCosmetics -> Viscosity controlling
General Manufacturing Information
Paint and Coating Manufacturing
Benzenesulfonic acid, 3-nitro-, sodium salt (1:1): ACTIVE
Anwendungen
VerwendenSodium 3-nitrobenzenesulfonate is a reagent in the synthesis of azetidinyl ketolides for treatment of susceptible and multidrug resistant community-acquired respiratory tract infections.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
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