Natrium-3-nitrobenzolsulfonat

Sodium 3-nitrobenzenesulfonate

HCID 31389CAS 127-68-4
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Grundinformationen

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
DTXSID2027048
ChEMBL
CHEMBL3188704
UNII
1F11SXJ4C6
EC Number
204-857-3

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA)
111 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
5
Frei drehbare Bindungen
0
Schwere Atome
14

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Nitrobenzesulfonic Acids
Cosmetics · 2 Einträge

Cosmetic ingredients (Sodium m-Nitrobenzenesulfonate) -> CIR (Cosmetic Ingredient Review)

Viscosity controlling

Melting Point350 °C
Physical Description · 2 Einträge

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.

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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 · 4 Einträge

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 · 4 Einträge

Skin Sens. 1 (92.5%)

Eye irritation - category 2

Serious eye damage/eye irritation - Category 2

Eye Irrit. 2

Sicherheit und Schutzausrüstung

Protective Action Criteria (PAC) · 3 Einträge

33 [mg/m3]

360 [mg/m3]

2200 [mg/m3]

Toxikologische Informationen

Toxicity Summary · 2 Einträge

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 DataLC50 (rat) > 5,100 mg/m3/4h

Sicherheitsdaten

wgk
1
tsca
TSCA listed
hs_code
29049085
RTECS-Nr.
DB7195000
risk_code
36-43
Toxizität
LD50 orally in Rabbit: > 2000 mg/kg

Chemie und Industrie

Verwendung und Herstellung

Uses · 4 Einträge

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 · 2 Einträge

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

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]

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