1,2-Oxathian-2,2-dioxid
1,4-Butane sultone
Daten werden ergänzt – lade die Seite später neu, um den aktuellen Stand zu sehen
Grundinformationen
- CAS
1633-83-6- Standard-SMILES
O=S1(=O)CCCCO1- InChIKey
MHYFEEDKONKGEB-UHFFFAOYSA-N- Summenformel
- C4H8O3S
- Durchschnittliche Molmasse
- 136,17 g/mol
- Monoisotopische Masse
- 136,01941529
Namen und Bezeichner
- Bevorzugter Name
- 1,4-Butane sultone
- IUPAC
- oxathiane 2,2-dioxide
- Lokaler Name
- 1,2-Oxathian-2,2-dioxid
- Englischer Name
- 1,4-Butane sultone
- Summenformel
- C4H8O3S
- Molmasse
- 136.17
Namen und Synonyme
1,4-BUTANE SULTONE1,4-ButanesultoneButane sultone1,2-Oxathiane, 2,2-dioxide1,2-Oxathiane 2,2-dioxideButanesulfoneButanesultone1,4-Butylene sulfone1,4-Butanesulfone1(4)-ButanesultoneBRN 0110588HSDB 5846
Weitere Namen anzeigen
-Sultone1,4-Butane1,4-BUTANE SULTON1,4-butylenesulfoneBusulfan Impurity 71,4-Butane suLJACS-1633-83-6δ-Valerosultone
deltaValerosultoneUNII-4E0C1CLI2CEINECS 216-647-9NSC 71999DTXSID4061836NSC-719995-19-01-00010 (Beilstein Handbook Reference)1-BUTANESULFONIC ACID, 4-HYDROXY-, .DELTA.-SULTONE
Datenbank-Bezeichner
- CAS
1633-83-6- PubChem CID
- 15411
- DTXSID
DTXSID4061836- UNII
- 4E0C1CLI2C
- EC Number
- 216-647-9
- Nikkaji
- J3.676E
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 0,1
- Polarare Oberfläche (TPSA)
- 51,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 153
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Sulfur Compounds
Physical Description
Liquid
Clear faintly brownish-yellow liquid; [MSDSonline]
Physikochemische Eigenschaften
- Schmelzpunkt
- 12 · 12-15 °C (lit.)
- Siedepunkt
- 165 °C/25 · >165 °C/25 mmHg (lit.)
- Dichte
- 1.331 g/mL · 1.331 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.464(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 54 g/l · 54g/l (decomposition)
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless to yellow
- Wasserlöslichkeit
- 54 g/L · 54 g/L (20 ºC) decomposes
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
This chemical does not meet GHS hazard criteria for 0.6% (1 of 167) of reports.
Warning
H302 (99.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, 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 167 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
1,2-Oxathiane, 2,2-dioxide is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Oxathiane, 2,2-dioxide are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 1(4)-butanesultone (EC: 216-647-9)
1,4-Butanesultone: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA mutagen and equivocal tumorigen; [RTECS] May cause irritation; [MSDSonline] See Propane sultone.
Special Reports
THIS IS A REVIEW OF THE HOST MEDIATED ASSAY AND BODY FLUID ASSAY AS REPORTED FOR 208 CHEMICALS. 1,4-BUTANE SULTONE WAS POSITIVE FOR AN UNSPECIFIED STRAIN OF SALMONELLA TYPHIMURIUM.[LEGATOR MS ET AL; AN EVALUATION OF THE HOST MEDIATED ASSAY AND BODY FLUID ANALYSIS A REPORT OF THE USA ENVIRONMENTAL PROTECTION AGENCY GENE-TOX PROGRAM; MUTAT RES 98 (3): 319-74 (1982)]
Hazard Classes and CategoriesAcute Tox. 4 (99.4%)
Chemie und Industrie
Verwendung und Herstellung
Uses
Used as research chemical (alkylating agent); Not commercially produced in the US; [HSDB]
RESEARCH CHEMICAL (ALKYLATING AGENT)
U.S. Exports
(1979) No Data
(1981) No Data
U.S. Imports
(1979) No Data
(1981) No Data
U.S. Production
2023: <50,000 lb
(1979) NOT PRODUCED COMMERCIALLY IN U.S.
(1981) NOT PRODUCED COMMERCIALLY IN U.S.
Industry UsesIntermediate
Methods of ManufacturingPROBABLY BY DEHYDRATION OF 4-HYDROXY-1-BUTANESULFONIC ACID
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1,2-Oxathiane, 2,2-dioxide: ACTIVE
Anwendungen
Beschreibung1,4-Butane sultone is an impurity in sulfobutyl ether β-cyclodextrin (SBE-β-CD), and has been reported to be a weak carcinogen. 1,4-Butane sultone can be used for preparation of Brnsted acidic ionic liquids and the ionic liquid is green, highly water soluble, thermally stable, specific and catalytically stable, and can be used for the preparation of symmetrical 3,3'-diaryloxyoctanone compounds[1-2].
Verwenden1,4-Butane Sultone is an alkylating agent with weak carcinogenic activity.
Vor- und nachgelagerte Produkte
Zugehörige Reaktionen
71
Notizen zur Verbindung
Wird geladen…