Neopentyl glycol dimethylsulfate

Neopentyl glycol dimethylsulfate 97 · Neopentyl glycol dimethylsulfate 97% · 2,2-DIMETHYLPROPANE-1,3-DIYL DIMETHANESULFONATE · 1,3-Propanediol, 2,2-dimethyl-, 1,3-dimethanesulfonate · 2,2-Dimethyl-1,3-propanediol dimethylsulfate - [D73375] · (2,2-dimethyl-3-methylsulfonyloxypropyl) methanesulfonate · 3-(methanesulfonyloxy)-2,2-dimethylpropyl methanesulfonate

https://huagongshe.com/de/chemical/299203

Molekülstruktur von Neopentyl glycol dimethylsulfate

Identifikatoren & physikalische Daten

CAS No.	53555-41-2
Summenformel	C7H16O6S2
Durchschnittliche Molmasse	260,3 g/mol
Monoisotopische Masse	260,03883023 g/mol
SMILES	CC(C)(COS(C)(=O)=O)COS(C)(=O)=O
InChIKey	MBBDNGMNEVIICT-UHFFFAOYSA-N
PubChem CID	299203
EC No.	611-011-0
DTXSID	DTXSID20305786

Chemische & physikalische Eigenschaften

XLogP	0,3
Polarare Oberfläche (TPSA)	104
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	6
Frei drehbare Bindungen	6
Schwere Atome	15
Formalladung	0
Komplexität	342
Schmelzpunkt	69-74 °C
Siedepunkt	457.8±28.0 °C(Predicted)
Dichte	1.308±0.06 g/cm3(Predicted)
Lagerbedingungen	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 & Vorschriften

GHS-Einstufung	DangerH318 (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.
Hazard Classes and Categories	Eye Dam. 1 (100%)
Wassergefährdungsklasse (WGK)	2
R-Sätze (R)	41
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26-36/39
Lagerklasse	10 - Combustible liquids
Gefahrenklasse	Eye Dam. 1