Abts

HCID 35688CAS 28752-68-3

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Grundinformationen

Standard-SMILES: CCn1c(=NN=c2sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21
InChIKey: ZTOJFFHGPLIVKC-UHFFFAOYSA-N
Summenformel: C18H18N4O6S4
Durchschnittliche Molmasse: 514,6 g/mol
Monoisotopische Masse: 514,010919

Namen und Bezeichner

Bevorzugter Name: Abts
IUPAC: 3-ethyl-2-[(3-ethyl-6-sulfo-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonic acid
Englischer Name: 2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid
Summenformel: C18H18N4O6S4
Molmasse: 514.62

Namen und Synonyme

ABTS28752-68-3RefChem:10751452,2'-azino-bis(3-ethylbenzthiazoline-6-sulfonic acid)30931-67-0SCHEMBL63297SCHEMBL7915441DTXSID60865571ZTOJFFHGPLIVKC-UHFFFAOYSA-N2,2'-Hydrazinediylidenebis(3-ethyl-2,3-dihydro-1,3-benzothiazole-6-sulfonic acid)2,2 inverted exclamation marka-(1,2-Hydrazinediylidene)bis[3-ethyl-2,3-dihydro-6-benzothiazolesulfonic acid]2,2'-Azino-bis(3-ethylbenzothiazoline-6-sulfonate)

Weitere Namen anzeigen

ABTS, Peroxidase substrate2,2'-Azinobis(3-ethylbenzothiazole-6-sulfonic acid)2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid2,2'-Azinobis(3-ethyl-2,3-dihydrobenzothiazole-6-sulfonic acid)2,2'-Azinobis(3-ethyl-2,3-dihydro-6-benzothiazolesulfonic acid)2,2'-Azinobis[(2,3-dihydro-3-ethylbenzothiazole)-6-sulfonic acid]6-Benzothiazolesulfonicacid, 2,2'-(1,2-hydrazinediylidene)bis[3-ethyl-2,3-dihydro-(2Z)-3-ethyl-2-[(2E)-(3-ethyl-6-sulfo-1,3-benzothiazol-2(3H)-ylidene)hydrazono]-2,3-dihydro-1,3-benzothiazole-6-sulfonic acid

Datenbank-Bezeichner

CAS: 28752-68-3
PubChem CID: 35688
DTXSID: DTXSID60865571

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 207 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 10
Frei drehbare Bindungen: 5
Schwere Atome: 32
Formalladung: 0
Komplexität: 910

Physikochemische Eigenschaften

Aggregatzustand: solution
Farbe: clearvery pale yellow

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 (97.8%): 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 46 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

Regulatory Information6-Benzothiazolesulfonic acid, 2,2'-azinobis[3-ethyl-2,3-dihydro-, diammonium salt: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)

Regulatorische Informationen

Regulatory Information6-Benzothiazolesulfonic acid, 2,2'-azinobis[3-ethyl-2,3-dihydro-, diammonium salt: Does not have an individual approval but may be used under an appropriate group standard