3-bromopropanesulfonic acid sodium salt

HCID 23679056

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Grundinformationen

CAS: 55788-44-8
Standard-SMILES: O=S(=O)([O-])CCCBr.[Na+]
InChIKey: LNZDAVYFINUYOH-UHFFFAOYSA-M
Summenformel: C3H6BrNaO3S
Durchschnittliche Molmasse: 225,04 g/mol
Monoisotopische Masse: 223,91187

Namen und Bezeichner

Bevorzugter Name: 3-bromopropanesulfonic acid sodium salt
IUPAC: sodium 3-bromopropane-1-sulfonate
Englischer Name: Sodium 3-bromopropanesulfonate
Summenformel: C3H6BrNaO3S
Molmasse: 225.04

Namen und Synonyme

3-Bromopropanesulfonic acid sodium saltRefChem:499376628-650-655788-44-8Sodium 3-BromopropanesulfonateSodium 3-bromopropane-1-sulfonatesodium;3-bromopropane-1-sulfonateMFCD00024999SCHEMBL10372251-Propanesulfonic acid, 3-bromo-, sodium saltDTXSID30635546sodium 3-bromo-1-propanesulfonate

Weitere Namen anzeigen

Nsc1454193-BROMOPROPANESULFONIC ACIDSODIUM 3-BROMOPROPANESULPHONATESodium3-Bromopropanesulfonate>sodium,3-bromopropane-1-sulfonate3-Bromopropanesulphonic acid sodium salt3-Bromopropanesulfonic acid sodium salt >=97%

Sodium 3-bromo-propane-1-sulphonateAKOS025295467B17073-bromopropanesulfonic acid sodiumsodium,3-bromopropane-1-sulfonateC3H6BrNaO3S3-bromopropane sulfonic acid sodium saltAS-64084

Datenbank-Bezeichner

CAS: 55788-44-8
PubChem CID: 23679056
DTXSID: DTXSID30635546
EC Number: 628-650-6
Nikkaji: J1.387.528F

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 65,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 9
Formalladung: 0
Komplexität: 138

Physikochemische Eigenschaften

Schmelzpunkt: 257 · 257-262°C (dec.)
storage temp.: 2 · 2-8°C, sealed storage, away from moisture
Wasserlöslichkeit: Soluble in water
Aggregatzustand: powder to crystal
Farbe: White to Light yellow
InChI: InChI=1S/C3H7BrO3S.Na/c4-2-1-3-8(5,6)7;/h1-3H2,(H,5,6,7);/q;+1/p-1
InChIKey: LNZDAVYFINUYOH-UHFFFAOYSA-M
SMILES: C(CCBr)S([O-])(=O)=O.[Na+]
CAS Datenbank: 55788 · 55788-44-8(CAS DataBase Reference)

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 45 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.