Neopentyl glycol dimethylsulfate
Grundinformationen
- CAS
53555-41-2- Standard-SMILES
CC(C)(COS(C)(=O)=O)COS(C)(=O)=O- InChIKey
MBBDNGMNEVIICT-UHFFFAOYSA-N- Summenformel
- C7H16O6S2
- Durchschnittliche Molmasse
- 260,3 g/mol
- Monoisotopische Masse
- 260,03883023
Namen und Bezeichner
- Bevorzugter Name
- Neopentyl glycol dimethylsulfate
- IUPAC
- (2,2-dimethyl-3-methylsulfonyloxypropyl) methanesulfonate
- Englischer Name
- Neopentyl glycol dimethylsulfate 97
- Summenformel
- C7H16O6S2
- Molmasse
- 260.33
Namen und Synonyme
Neopentyl glycol dimethylsulfateDTXSID20305786RefChem:832332DTXCID70256916611-011-053555-41-22,2-Dimethylpropane-1,3-diyl dimethanesulfonate2,2-Dimethyl-1,3-propanediol dimethylsulfate(2,2-dimethyl-3-methylsulfonyloxypropyl) methanesulfonateMFCD009663243-(methanesulfonyloxy)-2,2-dimethylpropyl methanesulfonateNEOPENTYL GLYCOL DIMETHYLSULFATE 97
Weitere Namen anzeigen
Neopentyl glycol dimethylsulfate 97Neopentyl glycol dimethylsulfate 97%1,3-Propanediol, 2,2-dimethyl-, 1,3-dimethanesulfonate2,2-Dimethyl-1,3-propanediol dimethylsulfate - [D73375]
NSC171672SCHEMBL9130270DCA55541AKOS015831322Neopentyl glycol dimethylsulfate, 97%NSC 171672NSC-171672NEOPENTYL GLYCOL DIMETHYLSULFATE97
Datenbank-Bezeichner
- CAS
53555-41-2- PubChem CID
- 299203
- DTXSID
DTXSID20305786- EC Number
- 611-011-0
- Nikkaji
- J1.630.800E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,3
- Polarare Oberfläche (TPSA)
- 104 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 342
Physikochemische Eigenschaften
- Schmelzpunkt
- 69 · 69-74 °C
- Siedepunkt
- 457.8 · 457.8±28.0 °C(Predicted)
- Dichte
- 1.308 · 1.308±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-30°C
- Aggregatzustand
- solid
- InChI
- 1S/C7H16O6S2/c1-7(2,5-12-14(3,8)9)6-13-15(4,10)11/h5-6H2,1-4H3
- InChIKey
- MBBDNGMNEVIICT-UHFFFAOYSA-N
- SMILES
- CC(C)(COS(C)(=O)=O)COS(C)(=O)=O
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and 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 Dam. 1 (100%)
Sicherheitsdaten
- wgk
- 2
- risk_code
- 41
- hazard_code
- Xi
- safety_code
- 26-36/39
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Dam. 1
Chemie und Industrie
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