1,2-Ethandisulfonsure

1,2-Ethanedisulfonic Acid

HCID 8032CAS 110-04-3

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Grundinformationen

Standard-SMILES: O=S(=O)(O)CCS(=O)(=O)O
InChIKey: AFAXGSQYZLGZPG-UHFFFAOYSA-N
Summenformel: C2H6O6S2
Durchschnittliche Molmasse: 190,2 g/mol
Monoisotopische Masse: 189,96058025

Namen und Bezeichner

Bevorzugter Name: 1,2-Ethanedisulfonic Acid
IUPAC: ethane-1,2-disulfonic acid
Lokaler Name: 1,2-Ethandisulfonsure
Englischer Name: 1,2-Ethanedisulfonic acid
Summenformel: C2H6O6S2
Molmasse: 190.2

Namen und Synonyme

1,2-ETHANEDISULFONIC ACID110-04-3Allergosil1,2-Ethanedisulphonic acidDL69Y31QQVEINECS 203-732-0DTXSID001490891,2-ETHANEDISULFONIC ACID [MI]1,2-ETHANEDISULFONIC ACID, FREE ACIDRefChem:412059DTXCID6071580203-732-0

Weitere Namen anzeigen

NSC-164Ethanedisulphonicacidethylene disulfonic acidETHANEDISULFONIC ACID(1,2-)1,2-Ethanedisulfonic Acid Ethane-1,2-disulfonic acid hydrate

ethane-1,2-disulfonic acidethylenedisulfonic acidethane disulfonic acidMFCD00069901UNII-DL69Y31QQVEthane-alpha,beta-disulfonic Acid; Ethanedisulfonic Acid; Ethylenedisulfonic Acid;Mesna Impurity 9ethandisulfonic acid

Datenbank-Bezeichner

CAS: 110-04-3
PubChem CID: 8032
DTXSID: DTXSID00149089
ChEMBL: CHEMBL4546972
UNII: DL69Y31QQV
EC Number: 203-732-0
Nikkaji: J23.388I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -2
Polarare Oberfläche (TPSA): 126 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 3
Schwere Atome: 10
Formalladung: 0
Komplexität: 239

Physikochemische Eigenschaften

Schmelzpunkt: 109 °C · 109 °C
Dichte: 1.545 · 1.545 (estimate)
Brechungsindex: 1.563 · 1.5630 (estimate)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: DMSO (Sparingly)
Aggregatzustand: solid
pka: 0.71 · 0.71±0.50(Predicted)
Farbe: White to Off-White
Wasserlöslichkeit: soluble
Merck: 14 · 14,3724
InChI: InChI=1S/C2H6O6S2/c3-9(4,5)1-2-10(6,7)8/h1-2H2,(H,3,4,5)(H,6,7,8)
InChIKey: AFAXGSQYZLGZPG-UHFFFAOYSA-N
SMILES: C(S(O)(=O)=O)CS(O)(=O)=O
CAS Datenbank: 110 · 110-04-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H290 (22.2%): May be corrosive to metals [Warning Corrosive to Metals]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (11.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P337+P317, P363, P390, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 5 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

Hazard Classes and CategoriesMet. Corr. 1 (22.2%)；Skin Corr. 1C (100%)；Eye Dam. 1 (33.3%)；Eye Irrit. 2A (11.1%)

Sicherheitsdaten

ridadr: 2585
hs_code: 29041000
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45-27
hazard_class: 8
packing_group: II

Chemie und Industrie

Anwendungen

VerwendenIt is employed in the preparation of "edisylate" salts. It is also used in biological studies to evaluate cellular metabolism and allergy using guinea pigs as the subject of the studies.