Sulfosalicylic Acid (HCID 7322)

Überblick

5-sulfosalicylic acid is an arenesulfonic acid that is benzoic acid substituted by a hydroxy at position C-2 and a sulfo group at C-5. It has a role as a metabolite. It is a member of benzoic acids, an arenesulfonic acid and a member of phenols. It is functionally related to a phenol and a benzoic acid.

Namen und Bezeichner

Bevorzugter Name: Sulfosalicylic Acid
IUPAC: 2-hydroxy-5-sulfobenzoic acid
Lokaler Name: 5-Sulfosalicylsure
Englischer Name: Sulfosalicylic acid
Summenformel: C7H6O6S
Molmasse: 218.18

Namen und Synonyme

5-Sulfosalicylic acid2-Hydroxy-5-sulfobenzoic acid97-05-2SULFOSALICYLIC ACIDSalicylsulfonic acidBenzoic acid, 2-hydroxy-5-sulfo-2-Hydroxybenzoic-5-sulfonic acid3-Carboxy-4-hydroxybenzenesulfonic acidSulphosalicylic acidKalcolor anodizing acidL8XED79U3UNSC-190565

Weitere Namen anzeigen

5-Sulfosalicylic2-Hydroxy-5-sulfo-benzoic acidcp18121TIMTEC-BB SBB0089275-sulfo-salicylicaci3-Sulfosalicylicacid

DTXSID7059145CHEBI:68555RefChem:889703DTXCID10490153-carboxy-4-hydroxybenzenesulfonate202-555-65-Sulphosalicylic acidSalicylic acid, sulfo-

Datenbank-Bezeichner

CAS: 97-05-2
PubChem CID: 7322
DTXSID: DTXSID7059145
ChEMBL: CHEMBL2107580、CHEMBL229241
ChEBI: CHEBI:68555
UNII: L8XED79U3U
EC Number: 202-555-6
Nikkaji: J8.317H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 120 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 316

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Organic Acids

Melting Point120 °C

Physical Description · 2 Einträge

Dihydrate: White solid; [Merck Index] White odorless powder; [Mallinckrodt Baker MSDS]

Solid

Physikochemische Eigenschaften

Schmelzpunkt: 120 °C · 120°C
Siedepunkt: 328.86 °C · 328.86°C (rough estimate)
Dichte: 1.7563 · 1.7563 (rough estimate)
Dampfdruck: 0.005 Pa · 0.005Pa at 20℃
Brechungsindex: 1.53 · 1.5300 (estimate)
pka: -0.62 · -0.62±0.50(Predicted)
Aggregatzustand: Liquid
Farbe: Clear
Wasserlöslichkeit: 987 g/L · 987g/L at 20℃
InChI: InChI=1S/C7H6O6S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13)
InChIKey: YCPXWRQRBFJBPZ-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC(S(O)(=O)=O)=CC=C1O
LogP: -2.13 at · -2.13 at 20℃
CAS Datenbank: 97 · 97-05-2(CAS DataBase Reference)
NIST chemische Informationen: 2 · Benzoic acid, 2-hydroxy-5-sulfo-(97-05-2)
EPA chemische Informationen: 2 · Benzoic acid, 2-hydroxy-5-sulfo- (97-05-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (96.4%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 2167 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Benzoic acid, 2-hydroxy-5-sulfo-

Status: Active Update: 13-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/22724

Benzoic acid, 2-hydroxy-5-sulpho-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and mucous membrane irritant; [Merck Index] An irritant; [Mallinckrodt Baker MSDS] See Salicylic acid.

Hazard Classes and CategoriesSkin Irrit. 2 (96.4%)

Sicherheit und Schutzausrüstung

Protective Action Criteria (PAC) · 3 Einträge

5.6 [mg/m3]

61 [mg/m3]

370 [mg/m3]

Sicherheitsdaten

tsca: TSCA listed
ridadr: UN 1760
hazard_class: 8
packing_group: III

Chemie und Industrie

Pharmakologische Informationen

Tissue LocationsProstate

Verwendung und Herstellung

UsesUsed as a clinical reagent (albumin in urine) and colorimetric reagent (ferric ion); [Merck Index]

General Manufacturing InformationBenzoic acid, 2-hydroxy-5-sulfo-: ACTIVE

Anwendungen

VerwendenSulfosalicylic Acid is a benzoic acid derivative with acetylcholinesterase inhibitory properties.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Salicylsäure Schwefelsure Benzenesulfonic acid, 3-formyl-4-hydroxy-2-Oxo-2H-1-benzopyran-6-sulfonsure Chloroschwefelsure Phenylsalicylat

Nachgelagerte Produkte

2-Naphthacencarboxamid, 4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, Monohydrochlorid, [4S-(4α,4aα,5α,5aα,6α,12aα)]-3,5-Dichlorsalicylsure

Anbieter50 Anbieter

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

南通润丰石油化工有限公司66017690 19952660367 · [email protected]

天津市光复科技发展有限公司022-85689490 13132141716 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: An arenesulfonic acid that is benzoic acid substituted by a hydroxy at position C-2 and a sulfo group at C-5.

Zugehörige Reaktionen

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HRID 704465als Eduktuspto-grants-1991_01

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