Grundinformationen
- CAS
824-79-3- Standard-SMILES
Cc1ccc(S(=O)[O-])cc1.[Na+]- InChIKey
KFZUDNZQQCWGKF-UHFFFAOYSA-M- Summenformel
- C7H7NaO2S
- Durchschnittliche Molmasse
- 178,19 g/mol
- Monoisotopische Masse
- 178,00644474
Namen und Bezeichner
- Bevorzugter Name
- Sodium p-toluenesulfinate
- IUPAC
- sodium 4-methylbenzenesulfinate
- Lokaler Name
- Natriumtoluol-4-sulfinat
- Englischer Name
- Sodium p-toluenesulfinate
- Summenformel
- C7H7NaO2S
- Molmasse
- 178.18
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
824-79-3- PubChem CID
- 2723791
- DTXSID
DTXSID3061180- UNII
- 7CKU5W4TRM
- EC Number
- 212-538-5
- Nikkaji
- J48.039H
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 59,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 132
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 300 °C · >300 °C(lit.)
- Dichte
- 1.399 · 1.399-1.405 at 20℃
- Dampfdruck
- 0 · 0-0.001Pa at 20-50℃
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- Aggregatzustand
- Powder
- Farbe
- White to off-white
- Wasserlöslichkeit
- Slightly soluble in water.
- Merck
- 14 · 14,9532
- BRN
- 4621454 · 4621454
- InChI
- InChI=1S/C7H8O2S.Na/c1-6-2-4-7(5-3-6)10(8)9;/h2-5H,1H3,(H,8,9);/q;+1/p-1
- InChIKey
- KFZUDNZQQCWGKF-UHFFFAOYSA-M
- SMILES
- C1(=CC=C(C)C=C1)S([O-])=O.[Na+]
- LogP
- -0.9 at · -0.9 at 23℃ and pH4
- Oberflächenspannung
- 62.9 mN/m · 62.9mN/m at 1.004g/L and 20℃
- CAS Datenbank
- 824 · 824-79-3(CAS DataBase Reference)
- EPA chemische Informationen
- 4 · Benzenesulfinic acid, 4-methyl-, sodium salt (824-79-3)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 6.1% (7 of 115) of reports.
Warning
H319 (93.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 115 reports by companies from 7 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Benzenesulfinic acid, 4-methyl-, sodium salt
Status: Active Update: 21-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/27711
Benzenesulfinic acid, 4-methyl-, sodium salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Sicherheitsdaten
- F
- 3
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 2930 90 98
- RTECS-Nr.
- XT4725000
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 22-24/25-37/39-26
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
BeschreibungSodium p-toluenesulfinate (STS, molecular formula C7H7NaO2S) is an organic synthesis intermediate with strong nucleophilicity and reducing properties, and is mainly used as a reaction reagent/building block. In a copper-catalyzed system, it can undergo a coupling reaction with aryl diazonium salts to synthesize diaryl sulfones. Its reaction with benzoyl chloride produces benzoic anhydride in good yield. In addition, it can also react with acetyl chloride to produce acetic anhydride, p-toluenesulfinyl chloride, thiosulfonate, and sodium p-toluenesulfonate [1-2]. Furthermore, multiple studies have shown that STS is effective as an antioxidant for dental adhesives. It can enhance the bonding durability of general adhesives on acid-etched dentin [3]. It should be noted that sodium p-toluenesulfinate is easily confused with sodium p-toluenesulfonate. Sodium p-toluenesulfonate (molecular formula C7H9NaO3S) is mainly used as an industrial detergent, water-soluble growth promoter, or dye intermediate.
VerwendenSodium p-toluenesulfinate can be used as intermediate of pharmaceutical and dispersal dyes, and also can be used as curing agent of grouting material.
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