Sodium 4-bromobenzene-1-sulfinate--water (1/1/2)

HCID 23683129CAS 175278-64-5

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Grundinformationen

Standard-SMILES: O.O.O=S([O-])c1ccc(Br)cc1.[Na+]
InChIKey: SEHRIJWUZPAQNR-UHFFFAOYSA-M
Summenformel: C6H8BrNaO4S
Durchschnittliche Molmasse: 279,09 g/mol
Monoisotopische Masse: 277,92243612

Namen und Bezeichner

Bevorzugter Name: Sodium 4-bromobenzene-1-sulfinate--water (1/1/2)
IUPAC: sodium;4-bromobenzenesulfinate;dihydrate
Englischer Name: 4-Bromobenzenesulfinic acid sodium salt dihydrate
Summenformel: C6H8BrNaO3S
Molmasse: 263.08

Namen und Synonyme

175278-64-5DTXSID60635594Sodium 4-bromobenzene-1-sulfinate--water (1/1/2)RefChem:380680DTXCID10586345Sodium 4-bromobenzenesulfinate Dihydrate4-BROMOBENZENESULFINIC ACID SODIUM SALT DIHYDRATESodium 4-bromobenzene-1-sulphinate dihydratesodium;4-bromobenzenesulfinate;dihydrateMFCD00210139Benzenesulfinic acid, 4-bromo-, sodium salt, hydrate (1:1:2)Sodium 4-bromobenzenesulfinate, dihydrate

Weitere Namen anzeigen

4-bromobenzenesulfi4-BROMOBENZENESULFINIC ACID4-Bromobenzenesulfonic acid sodium salt 2-hydrate4-BROMOBENZENESULFONIC ACID SODIUM SALT DIHYDRATE4-BROMOBENZENESULFINIC ACID SODIUM SALT 2-HYDRATE

sodium 4-bromobenzene-1-sulfinate dihydrate4-Bromobenzenesulfinic acid sodium saltC6H8BrNaO4SSCHEMBL3165297BUTTPARK 120\07-61AKOS016009940sodium 4-bromophenylsulfinate dihydrateAS-80534

Datenbank-Bezeichner

CAS: 175278-64-5
PubChem CID: 23683129
DTXSID: DTXSID60635594
EC Number: 681-597-0

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 61,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 137

Physikochemische Eigenschaften

Schmelzpunkt: 280 °C · >280°C
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: powder
Farbe: Fine white
Wasserlöslichkeit: Soluble in water.
InChI: InChI=1S/C6H5BrO2S.Na.H2O.H/c7-5-1-3-6(4-2-5)10(8)9;;;/h1-4H,(H,8,9);;1H2;
InChIKey: JCBILQPNNOXBDK-UHFFFAOYSA-N
SMILES: S(C1C=CC(Br)=CC=1)(O)=O.[NaH].O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Sicherheitsdaten

hs_code: 2930909899
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39

Chemie und Industrie

Anwendungen

Verwenden4-Bromobenzenesulfinic acid sodium salt dehydrate is used in the preparation of unsymmetrical internal alkynes and vinyl sulfones by reaction with alkynes by using palladium as a catalyst.