Kaliumhydrogen-4-sulfonatobenzoat

Potassium 4-carboxybenzenesulfonate

HCID 23670833CAS 5399-63-3

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Grundinformationen

Standard-SMILES: O=C([O-])c1ccc(S(=O)(=O)O)cc1.[K+]
InChIKey: PXRJBUPXKDXDLG-UHFFFAOYSA-M
Summenformel: C7H5KO5S
Durchschnittliche Molmasse: 240,28 g/mol
Monoisotopische Masse: 239,94947591

Namen und Bezeichner

Bevorzugter Name: Potassium 4-carboxybenzenesulfonate
IUPAC: potassium 4-sulfobenzoate
Lokaler Name: Kaliumhydrogen-4-sulfonatobenzoat
Englischer Name: 4-Sulfobenzoic acid monopotassium salt
Summenformel: C7H5KO5S
Molmasse: 240.27

Namen und Synonyme

Potassium hydrogen 4-sulphonatobenzoateBenzoic acid, 4-sulfo-, potassium salt (1:1)RefChem:8676234Sulfobenzoic acid monopotassium saltPotassium hydrogen 4sulphonatobenzoatepSulphobenzoic acid, monopotassium saltBenzoic acid, 4sulfo, monopotassium saltBenzoic acid, 4sulfo, potassium salt (1:1)Potassium 4-carboxybenzenesulfonateBenzoic acid, 4-sulfo-, monopotassium saltpotassium 4-sulfobenzoateNV8R6RKX3Y

Weitere Namen anzeigen

Monopotassium p-sulfobenzoatePOTASSIUM P-SULFOBENZOIC ACIDP-SULFOBENZOIC ACID POTASSIUM SALT4-Sulfobenzoic acid, pottasium salt4-sulfo-benzoicacimonopotassiumsalt4-SULFOBENZOIC ACID, POTASSIUM SALTpotassium hydrogen 4-sulphotobenzoate

Potassium hydrogen 4-sulfobenzoate4-sulphobenzoic acid monopotassium saltp-Sulphobenzoic acid, monopotassium saltNSC-4862C7H5KO5SMONOPOTASSIUM 4-SULFOBENZOATEpotassium;4-sulfobenzoateUNII-NV8R6RKX3Y

Datenbank-Bezeichner

CAS: 5399-63-3
PubChem CID: 23670833
DTXSID: DTXSID3063837
UNII: NV8R6RKX3Y
EC Number: 226-435-8
Nikkaji: J168.784K、J168.791C

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 103 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 286

Experimentelle und physikochemische Eigenschaften

Physical DescriptionWhite hygroscopic powder; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

storage temp.: 2 · 2-8°C, sealed storage, away from moisture
InChI: 1S/C7H6O5S.K/c8-7(9)5-1-3-6(4-2-5)13(10,11)12;/h1-4H,(H,8,9)(H,10,11,12);/q;+1/p-1
InChIKey: PXRJBUPXKDXDLG-UHFFFAOYSA-M
SMILES: [K+].OC(=O)c1ccc(cc1)S([O-])(=O)=O
CAS Datenbank: 5399 · 5399-63-3(CAS DataBase Reference)
EPA chemische Informationen: 4 · Benzoic acid, 4-sulfo-, monopotassium salt (5399-63-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Benzoic acid. See Sodium benzosulfonate.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29161900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzoic acid, 4-sulfo-, potassium salt (1:1): INACTIVE

Anwendungen

VerwendenPotassium 4-Carboxybenzenesulfonate is used as a reactant for the synthesis of Potassium and Rubidium Arenesulfonates which shows coordination behavior towards the anions.