Ethanesulfinic acid
Grundinformationen
- CAS
20035-08-9- Standard-SMILES
CCS(=O)O- InChIKey
RQIFXTOWUNAUJC-UHFFFAOYSA-N- Summenformel
- C2H6O2S
- Durchschnittliche Molmasse
- 94,14 g/mol
- Monoisotopische Masse
- 94,0088506
Namen und Bezeichner
- Bevorzugter Name
- Ethanesulfinic acid
- IUPAC
- ethanesulfinic acid
- Englischer Name
- Sodium ethanesulfinate
- Summenformel
- C2H5NaO2S
- Molmasse
- 116.11
Namen und Synonyme
Ethanesulfinic acid598-59-4DTXSID40331128RefChem:340148DTXCID4028222220035-08-9InChI=1/C2H6O2S/c1-2-5(3)4/h2H2,1H3,(H,3,4Ethanesulfinicacidethyl sulfinic acidSCHEMBL491082SCHEMBL491083SCHEMBL7050189
Weitere Namen anzeigen
Nsc371084ethanesulfinateSodium Ethanesulfinatesodium 1-sulfinatoethaneETHANE SULFINIC ACID SODIUMETHANE SULFINIC ACID SODIUM SALTEthanesulfinic acid, sodium salt (8CI,9CI)
SCHEMBL7050192RQIFXTOWUNAUJC-UHFFFAOYSA-NAKOS030229291DB-072709EN300-267650
Datenbank-Bezeichner
- CAS
20035-08-9、598-59-4- PubChem CID
- 435496
- DTXSID
DTXSID40331128- EC Number
- 812-301-1
- Nikkaji
- J1.976.197E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,2
- Polarare Oberfläche (TPSA)
- 56,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 5
- Formalladung
- 0
- Komplexität
- 42
Physikochemische Eigenschaften
- Schmelzpunkt
- 292 °C · 292°C
- Dichte
- 1.372 · 1.372
- storage temp.
- Inert atmosphere,Room Temperature
- Aggregatzustand
- solid
- InChI
- InChI=1S/C2H6O2S.Na/c1-2-5(3)4;/h2H2,1H3,(H,3,4);/q;+1/p-1
- InChIKey
- UWIVVFQECQYHOB-UHFFFAOYSA-M
- SMILES
- S(CC)(=O)[O-].[Na+]
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (33.3%): 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, P317, 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 3 reports by companies from 3 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 (33.3%)；Acute Tox. 4 (33.3%)；Eye Irrit. 2 (66.7%)；Acute Tox. 4 (33.3%)
Sicherheitsdaten
- wgk
- WGK 3
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2
Chemie und Industrie
Anwendungen
VerwendenThe following Baran Sulfinate is a part of a toolbox of diversification reagents, which are ideal for the late-stage functionalization of nitrogen-containing heterocycles. The regioselectivity can be effectively tuned by modification of the pH and solvent selection.Radical-Based Regioselective C–H Functionalization of Electron-Deficient Heteroarenes: Scope; Tunability; and Predictability
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
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阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
宁波君龙新材料有限公司0574 88552218 18969899212 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
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