1,1-Dioxo-tetrahydro-thiopyran-4-one
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Grundinformationen
- CAS
17396-35-9- Standard-SMILES
O=C1CCS(=O)(=O)CC1- InChIKey
XFMQGQAAHOGFQS-UHFFFAOYSA-N- Summenformel
- C5H8O3S
- Durchschnittliche Molmasse
- 148,18 g/mol
- Monoisotopische Masse
- 148,01941529
Namen und Bezeichner
- Bevorzugter Name
- 1,1-Dioxo-tetrahydro-thiopyran-4-one
- IUPAC
- 1,1-dioxothian-4-one
- Englischer Name
- 1,1-Dioxo-tetrahydro-thiopyran-4-one
- Summenformel
- C5H8O3S
- Molmasse
- 148.18
Namen und Synonyme
1,1-Dioxo-tetrahydro-thiopyran-4-oneRefChem:410304815-424-917396-35-94-Tetrahydrothiopyranone 1,1-dioxideTetrahydrothiopyran-4-one 1,1-dioxide1,1-dioxothian-4-one4H-Thiopyran-4-one, tetrahydro-, 1,1-dioxideTetrahydro-4H-thiopyran-4-one 1,1-dioxideDihydro-2H-thiopyran-4(3H)-one 1,1-dioxide4-Tetrahydrothiopyranone1,1-DioxideMFCD00460698
Weitere Namen anzeigen
1,1-dioxo-4-thianone1,1-diketothian-4-one4-Oxothiane 1,1-Dioxidetetrahydro-1λ6-thiopyran-1,1,4-trione
4-Thiacyclohexanone dioxideTetrahydrothiopyran-4-one S,S-dioxideNXW8WJT9271,1-dioxotetrahydrothiopyran-4-oneNSC-95668UNII-NXW8WJT9272,3,5,6-tetrahydro-4H-thiopyran-4-one 1,1-dioxide1lambda6-thiane-1,1,4-trione
Datenbank-Bezeichner
- CAS
17396-35-9- PubChem CID
- 262230
- DTXSID
DTXSID60294266- ChEMBL
CHEMBL3120858
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- -0,9
- Polarare Oberfläche (TPSA)
- 59,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 193
Physikochemische Eigenschaften
- Schmelzpunkt
- 170 to · 170.0 to 174.0 °C
- Siedepunkt
- 385.2 · 385.2±35.0 °C(Predicted)
- Dichte
- 1.352 · 1.352±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- Aggregatzustand
- powder to crystal
- Farbe
- White to Almost white
- InChI
- InChI=1S/C5H8O3S/c6-5-1-3-9(7,8)4-2-5/h1-4H2
- InChIKey
- XFMQGQAAHOGFQS-UHFFFAOYSA-N
- SMILES
- C1S(=O)(=O)CCC(=O)C1
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 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (66.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+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 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
Hazard Classes and CategoriesAcute Tox. 4 (66.7%)；Skin Sens. 1 (66.7%)
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 2932990090
- risk_code
- 43
- safety_code
- 36/37
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
Chemie und Industrie
Vor- und nachgelagerte Produkte
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Nachgelagerte Produkte
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