Natriumtoluol-4-sulfinat

Sodium p-toluenesulfinate

HCID 2723791

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

824-79-3Sodium p-toluenesulfinatep-Toluenesulfinic acid sodium saltSodium 4-toluenesulfinateBENZENESULFINIC ACID, 4-METHYL-, SODIUM SALTSodium p-tolylsulfinate7CKU5W4TRMNSC 4871p-Toluenesulfinic acid, sodium saltEINECS 212-538-5p-Toluensulfinan sodnyp-Toluensulfinan sodny [Czech]
Weitere Namen anzeigen
SPTSSodium Para Toluene SulfinateTOLUENE-4-SULFINIC ACID SODIUM SALTp-toluensulfinansodnySODIUM P-TOLUENESULPHINATEP-Toluenesulfinate Sodium SaltNsc4871SodiuM toluene (SPTS)The toluene sulfonate
UNII-7CKU5W4TRMNSC 90774-Methylbenzenesulfinic acid, sodium saltAI3-50009DTXSID3061180NSC-4871NSC-9077SODIUM P-TOLUENE SULFINATE ANHYDROUS

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

Experimentelle und physikochemische Eigenschaften

Chemical ClassesMetals -> Organic Acids, Metal Salts
Physical DescriptionWhite powder; [Sigma-Aldrich MSDS]

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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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 · 3 Einträge

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.

Hazards SummaryNot considered hazardous by GHS classification; [Sigma-Aldrich MSDS] See Sodium benzenesulfinate. See Sodium formaldehydesulfoxylate.
Hazard Classes and CategoriesEye Irrit. 2A (93.9%)

Sicherheitsdaten

F
3
wgk
2
tsca
TSCA listed
hs_code
2930 90 98
RTECS-Nr.
XT4725000
risk_code
36/37/38

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzenesulfinic acid, 4-methyl-, sodium salt (1:1): ACTIVE
Anwendungen · 2 Einträge

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.

Anbieter100 Anbieter

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