Diethylsulfit

Sulfurous acid, diethyl ester

HCID 12197CAS 623-81-4

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Grundinformationen

Standard-SMILES: CCOS(=O)OCC
InChIKey: NVJBFARDFTXOTO-UHFFFAOYSA-N
Summenformel: C4H10O3S
Durchschnittliche Molmasse: 138,19 g/mol
Monoisotopische Masse: 138,03506518

Namen und Bezeichner

Bevorzugter Name: Sulfurous acid, diethyl ester
IUPAC: diethyl sulfite
Lokaler Name: Diethylsulfit
Englischer Name: Diethyl sulfite
Summenformel: C4H10O3S
Molmasse: 138.19

Namen und Synonyme

Diethyl sulfite623-81-4Ethyl sulfiteSulfurous acid, diethyl esterDiethyl sulphiteEthyl sulfite, (Et2SO3)NSC 8838EINECS 210-815-5TL 158BRN 1701906DTXSID00607774-01-00-01324 (Beilstein Handbook Reference)

Weitere Namen anzeigen

tl158(C2H5O)2SOEthylethylsulfonateDiethyl sulfite,98%Diethyl Sulfite >DIETHYL SULFITE 98%Sulfurous acid diethyl

RefChem:889945DTXCID4043309210-815-5InChI=1/C4H10O3S/c1-3-6-8(5)7-4-2/h3-4H2,1-2HMFCD00009098LF6566JT87NSC-8838(ethoxysulfinyl)ethoxy

Datenbank-Bezeichner

CAS: 623-81-4
PubChem CID: 12197
DTXSID: DTXSID0060777
UNII: LF6566JT87
EC Number: 210-815-5
Nikkaji: J6.848I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 54,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 4
Schwere Atome: 8
Formalladung: 0
Komplexität: 65,7

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Sulfur Compounds

SpringerMaterials PropertiesBoiling point

Physical DescriptionClear colorless liquid; [MSDSonline]

Physikochemische Eigenschaften

Siedepunkt: 158 · 158-160 °C(lit.)
Dichte: 1.077 g/mL · 1.077 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.414(lit.)
Flammpunkt: 129 °F · 129 °F
storage temp.: Flammables area
Aggregatzustand: Liquid
Farbe: Clear colorless
BRN: 1701906 · 1701906
Dielectric constant: 15.9 · 15.9(20℃)
Major Application: battery manufacturing
InChI: InChI=1S/C4H10O3S/c1-3-6-8(5)7-4-2/h3-4H2,1-2H3
InChIKey: NVJBFARDFTXOTO-UHFFFAOYSA-N
SMILES: S(OCC)(OCC)=O
CAS Datenbank: 623 · 623-81-4(CAS DataBase Reference)
NIST chemische Informationen: Sulfurous acid, diethyl ester(623-81-4)
EPA chemische Informationen: Sulfurous acid, diethyl ester (623-81-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Sulfurous acid, diethyl ester

Diethyl sulphite: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazards SummaryAn irritant; [MSDSonline]

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Toxikologische Informationen

Toxicity DataLC (mice) > 2,700 mg/m3

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 3
hs_code: 29209085
RTECS-Nr.: WT3511000
risk_code: 10-36/37/38
hazard_code: Xi
safety_code: 26-36-24/25-16
hazard_class: 3.2
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Flam. Liq. 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationSulfurous acid, diethyl ester: INACTIVE

Anwendungen · 1 Eintrag

VerwendenDiethyl sulfite (DES) is used as a film forming and high temperature additive for electrolytes in lithium ion batteries. It improves decomposition resistance of the electrolyte. Diethyl sulfite is also used as solvent for lithium bis(oxalato)borate (LiBOB) based electrolytes. The LiBOB-based electrolyte with DES shows high oxidation potentials, and good conductivities.