Grundinformationen
- Standard-SMILES
CC1COS(=O)O1- InChIKey
SJHAYVFVKRXMKG-UHFFFAOYSA-N- Summenformel
- C3H6O3S
- Durchschnittliche Molmasse
- 122,15 g/mol
- Monoisotopische Masse
- 122,00376505
Namen und Bezeichner
- Bevorzugter Name
- Propylene sulfite
- IUPAC
- 4-methyl-1,3,2-dioxathiolane 2-oxide
- Englischer Name
- 4-methyl-1,3,2-dioxathiolane 2-oxide
- Summenformel
- C3H6O3S
- Molmasse
- 122.14
Namen und Synonyme
1469-73-4Propylene sulfite1,2-Propanediol sulfiteSULFUROUS ACID, CYCLIC ESTER with 1,2-PROPANEDIOLAI3-22919RefChem:176543SJHAYVFVKRXMKG-UHFFFAOYSA-N4-Methyl-1,3,2-dioxathiolane 2-oxide1,3,2-Dioxathiolane, 4-methyl-, 2-oxideCyclic propylene sulfitePropylene sulfite (C3H6O2)SOPropane-1,2-cyclic sulfite
Weitere Namen anzeigen
4-methylvinyl sulfite1,2-Propylene Sulfite1,2-propanediol sulfit4- methyl ethylene sulfite1,2-Propanediol cyclic sulfite4-Methyl-2-oxo-1,3,2-dioxathiolane
1,2-Propylene glycol sulfiteSulfurous acid, cyclic propylene ester1,2-Propyleneglycol Sulfite1,2-Propanediol, cyclic sulfiteMFCD00041209NSC 44145NSC 52570340811-14-1
Datenbank-Bezeichner
- CAS
1469-73-4- PubChem CID
- 15117
- DTXSID
DTXSID80932956- ChEMBL
CHEMBL1980710- EC Number
- 621-493-4
- Nikkaji
- J1.572.858B、J54.365I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,4
- Polarare Oberfläche (TPSA)
- 54,7 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 92,2
Physikochemische Eigenschaften
- Siedepunkt
- 92 ℃ · 92℃ (40 Torr)
- Dichte
- 1.293 at · 1.293 at 25 °C
- Brechungsindex
- 1.4602 · 1.4602 (589.3 nm 25℃)
- Flammpunkt
- 80 ℃ · 80℃
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Light yellow
- Major Application
- battery manufacturing
- InChI
- 1S/C3H6O3S/c1-3-2-5-7(4)6-3/h3H,2H2,1H3
- InChIKey
- SJHAYVFVKRXMKG-UHFFFAOYSA-N
- SMILES
- CC1COS(=O)O1
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2934999090
- RTECS-Nr.
- WT3500000
- risk_code
- 36
- Toxizität
- mouse,LDLo,intraperitoneal,500mg/kg (500mg/kg),"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 8, Pg. 107, 1956.
- hazard_code
- Xi
- safety_code
- 26-36/37
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Irrit. 2
Chemie und Industrie
Anwendungen
Verwenden4-Methyl-1,3,2-dioxathiolane 2-Oxide (mixture of isomers) is used in the preparation of deep eutectic solvents in SO2 cycloaddition reactions.
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