Kalium-2,5-dihydroxybenzolsulfonat

Potassium dobesilate

HCID 23672329

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Grundinformationen

CAS: 21799-87-1
Standard-SMILES: O=S(=O)([O-])c1cc(O)ccc1O.[K+]
InChIKey: VKDSBABHIXQFKH-UHFFFAOYSA-M
Summenformel: C6H5KO5S
Durchschnittliche Molmasse: 228,27 g/mol
Monoisotopische Masse: 227,94947594

Überblick

for topical treatment of actinic keratoses

Namen und Bezeichner

Bevorzugter Name: Potassium dobesilate
IUPAC: potassium 2,5-dihydroxybenzenesulfonate
Lokaler Name: Kalium-2,5-dihydroxybenzolsulfonat
Englischer Name: Potassium 2,5-dihydroxybenzenesulfonate
Summenformel: C6H7KO5S
Molmasse: 230.28

Namen und Synonyme

Potassium 2,5-dihydroxybenzenesulfonate21799-87-1Potassium dobesilatePotassium HydroquinonesulfonateBenzenesulfonic acid, 2,5-dihydroxy-, monopotassium saltDTXSID8044410249E3F00EPUNII-249E3F00EPDTXCID6024410EINECS 244-584-7Potassium 2,5-dihydroxybenzenesulphonateBenzenesulfonic acid, 2,5-dihydroxy-, potassium salt (1:1)

Weitere Namen anzeigen

K-SALTPotassium 2,5-dihydr2,5-Dihydroxybenzenesulfonic2,5-dihydroxybenzenesulfonatePOTASSIUM HYDROQUINONE SULPHONATEPotassiumHydroquinonesulfonate>HYDROQUINONE SULFONIC ACID, K SALTKalium-2-5-dihydroxybenzolsulfonat

2,5-Dihydroxybenzenesulfonic acid, monopotassium saltRefChem:175470Hydroquinonesulfonic acid potassium salt2,5-Dihydroxybenzenesulfonic acid potassium saltpotassium 2,5-dihydroxybenzene-1-sulfonatepotassium;2,5-dihydroxybenzenesulfonateHMS2234I14MFCD00007475

Datenbank-Bezeichner

CAS: 21799-87-1
PubChem CID: 23672329
DTXSID: DTXSID8044410
ChEMBL: CHEMBL1707052
UNII: 249E3F00EP
EC Number: 244-584-7

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 106 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 246

Physikochemische Eigenschaften

Schmelzpunkt: 251 °C · 251 °C (dec.)(lit.)
Siedepunkt: 591.05 ℃[at · 591.05℃[at 101 325 Pa]
Dichte: 1.74 · 1.74[at 20℃]
Dampfdruck: 0 Pa · 0Pa at 25℃
storage temp.: 30 °C · Store below +30°C.
Aggregatzustand: powder to crystal
Farbe: White to Almost white
Wasserlöslichkeit: soluble
BRN: 5187027 · 5187027
Stabilität: Stable. Incompatible with bases, oxidizing agents.
InChI: InChI=1S/C6H6O5S.K.H/c7-4-1-2-5(8)6(3-4)12(9,10)11;;/h1-3,7-8H,(H,9,10,11);;
InChIKey: NFNMIXKGPIRZMQ-UHFFFAOYSA-N
SMILES: S(C1C=C(O)C=CC=1O)(O)(=O)=O.[KH]
LogP: -3.912 at · -3.912 at 25℃
CAS Datenbank: 21799 · 21799-87-1(CAS DataBase Reference)
EPA chemische Informationen: 2 · Benzenesulfonic acid, 2,5-dihydroxy-, monopotassium salt (21799-87-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 0.4% (1 of 233) of reports.

Warning

H302 (31.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 233 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Benzenesulfonic acid, 2,5-dihydroxy-, monopotassium salt

Status: Active Update: 09-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/25183

Benzenesulfonic acid, 2,5-dihydroxy-, monopotassium 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.

Hazard Classes and CategoriesAcute Tox. 4 (31.3%)