Grundinformationen
- Standard-SMILES
CCOC(=O)CSCC(=O)OCC- InChIKey
TVCSSJHLVLMADJ-UHFFFAOYSA-N- Summenformel
- C8H14O4S
- Durchschnittliche Molmasse
- 206,26 g/mol
- Monoisotopische Masse
- 206,0612801
Namen und Bezeichner
- Bevorzugter Name
- Diethyl 2,2'-thiodiacetate
- IUPAC
- ethyl 2-(2-ethoxy-2-oxoethyl)sulfanylacetate
- Lokaler Name
- Diethyl-2,2'-thiodiacetat
- Englischer Name
- Diethyl 2,2'-thiodiacetate
- Summenformel
- C8H14O4S
- Molmasse
- 206.26
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
925-47-3- PubChem CID
- 70216
- DTXSID
DTXSID50239020- UNII
- 38N3YM4LAK
- EC Number
- 213-117-9
- Nikkaji
- J298.486E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,5
- Polarare Oberfläche (TPSA)
- 77,9 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 152
Physikochemische Eigenschaften
- Schmelzpunkt
- 69 · 69-72 °C(lit.)
- Siedepunkt
- 252 · 252-253 °C(lit.)
- Dichte
- 1.146 g/mL · 1.146 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.467(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- clear liquid
- Farbe
- Light yellow to Brown
- LogP
- 2.31 · 2.310 (est)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (100%): 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 39 reports by companies from 2 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
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29420000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
VerwendenDiethyl 2,2''-Thiodiacetate is used in the synthesis of potent anticonvulsant agents. As well, used in the preparation of thienophenanthrene derivatives as polymer light-emitting devices and solar ccells.
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