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Diethyl sulfate - >98.0%(GC), high purity , CAS No.64-67-5
Basic Description
Synonyms
F0001-1737 | Diethyl sulphate | NCGC00164138-01 | SCHEMBL1769 | UN 1594 | BCP25766 | DIETHYL SULFATE [MI] | DIETHYLSULFATE | Sulfuric acid, diethyl ester | Diaethylsulfat [German] | DTXSID1024045 | InChI=1/C4H10O4S/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H | J-52030
Specifications & Purity
CP, ≥98%(GC)
Storage Temp
Protected from light,Desiccated
Shipped In
Normal
Grade
CP
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Organic sulfuric acids and derivatives
Subclass
Sulfuric acid esters
Intermediate Tree Nodes
Not available
Direct Parent
Sulfuric acid diesters
Alternative Parents
Alkyl sulfates Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Sulfuric acid diester - Alkyl sulfate - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as sulfuric acid diesters. These are organic compounds containing the sulfuric acid diester functional group with the generic structure ROS(OR')(=O)=O, (R,R'=organyl group).
External Descriptors
alkyl sulfate
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
diethyl sulfate
INCHI
InChI=1S/C4H10O4S/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3
InChIKey
DENRZWYUOJLTMF-UHFFFAOYSA-N
Smiles
CCOS(=O)(=O)OCC
Isomeric SMILES
CCOS(=O)(=O)OCC
WGK Germany
3
RTECS
WS7875000
UN Number
1594
Packing Group
II
Molecular Weight
154.18
Beilstein
1209714
Reaxy-Rn
1209714
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1209714&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in Ether,Alcohol
Sensitivity
Light sensitive.
Refractive Index
1.40037
Flash Point(°F)
219.2 °F
Flash Point(°C)
140.4℃
Boil Point(°C)
209.5°C
Melt Point(°C)
-25°C
Molecular Weight
154.190 g/mol
XLogP3
1.100
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
154.03 Da
Monoisotopic Mass
154.03 Da
Topological Polar Surface Area
61.000 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
130.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
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23 Citations
I2320504