Sodium 4-bromobenzene-1-sulfinate

HCID 23670685CAS 34176-08-4

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: O=S([O-])c1ccc(Br)cc1.[Na+]
InChIKey: FJSOUHVHPWODGS-UHFFFAOYSA-M
Summenformel: C6H4BrNaO2S
Durchschnittliche Molmasse: 243,06 g/mol
Monoisotopische Masse: 241,90131

Namen und Bezeichner

Bevorzugter Name: Sodium 4-bromobenzene-1-sulfinate
IUPAC: sodium 4-bromobenzenesulfinate
Englischer Name: Sodium 4-bromobenzenesulfinate
Summenformel: C6H4BrNaO2S
Molmasse: 243.05353

Namen und Synonyme

Sodium 4-bromobenzene-1-sulfinate34176-08-4RefChem:887084882-251-3Sodium 4-bromobenzenesulfinateMFCD09065037sodium;4-bromobenzenesulfinateSodium 4-Bromobenzenesulfinate hydrate4-bromobenzenesulfinateSodium4-bromobenzenesulfinatesodium 4-bromophenylsulfinateSCHEMBL3015881

Weitere Namen anzeigen

Sodium p-bromobenzenesulfinate4-Bromobenzene-1-sulfinic acid sodium salt

SKL658Sodium (4-Bromophenyl)sulfinatesodium;4-bromanylbenzenesulfinateFJSOUHVHPWODGS-UHFFFAOYSA-M34176-08-4(anhy)JBA17608SBB0996714-bromophenylsulfinic acid sodium salt

Datenbank-Bezeichner

CAS: 34176-08-4
PubChem CID: 23670685
EC Number: 882-251-3
Nikkaji: J3.220.674C

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 59,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 137

Physikochemische Eigenschaften

storage temp.: 2 · 2-8°C, sealed storage, away from moisture

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 2 reports by companies from 1 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 CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Sicherheitsdaten

Alarmwort: Warnung
Gefahrenhinweise: Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302

Chemie und Industrie

Anwendungen

VerwendenSodium 4-Bromobenzene-1-sulfinate is used in preparation of beta-ketosulfone derivatives via radical addition/oxidation reaction of aryl olefins with sodium sulfinates.