Benzenesulfonic acid, 2-chloro-5-nitro-, sodium salt (1:1)

HCID 70350CAS 946-30-5

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Grundinformationen

Standard-SMILES: O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[O-])c1.[Na+]
InChIKey: OUERFXCJVYJQJO-UHFFFAOYSA-M
Summenformel: C6H3ClNNaO5S
Durchschnittliche Molmasse: 259,6 g/mol
Monoisotopische Masse: 258,9318153

Namen und Bezeichner

Bevorzugter Name: Benzenesulfonic acid, 2-chloro-5-nitro-, sodium salt (1:1)
IUPAC: sodium 2-chloro-5-nitrobenzenesulfonate

Namen und Synonyme

Sodium 2-chloro-5-nitrobenzenesulphonateBenzenesulfonic acid, 2-chloro-5-nitro-, sodium salt2-Chloro-5-nitrobenzenesulfonic acid, sodium saltEINECS 213-418-5AI3-50027DTXSID4061339Benzenesulfonic acid, 2-chloro-5-nitro-, sodium salt (1:1)RefChem:564193DTXCID9048934213-418-5946-30-5sodium 2-chloro-5-nitrobenzenesulfonate

Weitere Namen anzeigen

2-Chloro-5-nitrobenzene Sodium Sulphonatesodium;2-chloro-5-nitrobenzenesulfonatesodium 2-chloro-5-nitrobenzene-1-sulfonate7XZ7SMC9AJSCHEMBL2483870SCHEMBL29396358SBB055153AKOS002347521

Datenbank-Bezeichner

CAS: 946-30-5
PubChem CID: 70350
DTXSID: DTXSID4061339
UNII: 7XZ7SMC9AJ
EC Number: 213-418-5

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 111 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 0
Schwere Atome: 15
Formalladung: 0
Komplexität: 305

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.

Warning

H319 (95.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 1 of 41 reports by companies.；There are 2 notifications provided by 40 of 41 reports by companies with hazard statement code(s).；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.