Benzenesulfonic acid, 4-methyl-, silver(1+) salt (1:1)

HCID 85606CAS 16836-95-6

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Grundinformationen

Standard-SMILES: Cc1ccc(S(=O)(=O)[O-])cc1.[Ag+]
InChIKey: JUDUFOKGIZUSFP-UHFFFAOYSA-M
Summenformel: C7H7AgO3S
Durchschnittliche Molmasse: 279,06 g/mol
Monoisotopische Masse: 277,91668708

Namen und Bezeichner

Bevorzugter Name: Benzenesulfonic acid, 4-methyl-, silver(1+) salt (1:1)
IUPAC: silver 4-methylbenzenesulfonate
Englischer Name: Silver p-toluenesulfonate
Summenformel: C7H7AgO3S
Molmasse: 279.06

Namen und Synonyme

Silver p-toluenesulfonateSilver tosylateSilver p-toluenesulphonateSilver p-tosylateNSC 231877p-Toluenesulfonic acid, silver(1+) saltEINECS 240-859-0Silver p-methylbenzenesulfonateBenzenesulfonic acid, 4-methyl-, silver(1+) saltBenzenesulfonic acid, 4-methyl-, silver(1+) salt (1:1)DTXSID9066122RefChem:564662

Weitere Namen anzeigen

ver p-toLsilver(i) tosylateSilver p-tolylsulfonateSILVER 4-TOLUENESULFONATESILVER TOLUENE-4-SULFONATE

DTXCID0035401240-859-016836-95-6Silver(I) 4-methylbenzenesulfonatep-Toluenesulfonic acid silver saltsilver 4-methylbenzenesulfonateMFCD00007511silver;4-methylbenzenesulfonate

Datenbank-Bezeichner

CAS: 16836-95-6
PubChem CID: 85606
DTXSID: DTXSID9066122
EC Number: 240-859-0
Nikkaji: J236.866H

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 65,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 193

Physikochemische Eigenschaften

Schmelzpunkt: 264 · 264-266℃ (decomposition)
storage temp.: 30 °C · Store below +30°C.
Löslichkeit: sol acetonitrile, diethyl ether, water
Aggregatzustand: powder
Wasserlöslichkeit: Soluble in water.
BRN: 3598937 · 3598937
Major Application: PEM fuel cellsmaterial synthesis precursor
InChI: 1S/C7H8O3S.Ag/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);/q;+1/p-1
InChIKey: JUDUFOKGIZUSFP-UHFFFAOYSA-M
SMILES: [Ag+].Cc1ccc(cc1)S([O-])(=O)=O
CAS Datenbank: 16836 · 16836-95-6(CAS DataBase Reference)
EPA chemische Informationen: 4 · Benzenesulfonic acid, 4-methyl-, silver(1+) salt (16836-95-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Benzenesulfonic acid, 4-methyl-, silver(1+) salt

Benzenesulfonic acid, 4-methyl-, silver(1+) salt: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

F: 8
wgk: 3
tsca: TSCA listed
hs_code: 2843290000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: 9
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzenesulfonic acid, 4-methyl-, silver(1+) salt (1:1): ACTIVE

Anwendungen · 1 Eintrag

VerwendenSilver p-toluenesulfonate is used to converts alkyl halides to tosylates, and benzyl selenyl chlorides into their corresponding selenyl tosylates. It used in promotion of the leaving ability of halogens. For use in the conversion of alkyl halides to alkyl tosylates.

Darstellung

synthetischeSilver p-toluenesulfonate can be prepared by mixing aqueous solutions of Silver(I) Nitrate and sodium tosylate and filtering off the precipitate.