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Bis(trimethylsilyl) Malonate - >97.0%(GC), high purity , CAS No.18457-04-0
Basic Description
Synonyms
F0001-0667 | trans-4-Hydroxy-beta-nitrostyrene | BIS(TRIMETHYLSILYL) MALONATE? | EINECS 242-342-5 | Malonic acid bis(trimethylsilyl ester) | J-011825 | bis(trimethylsilyl) propanedioate | BP-21139 | BS-42277 | malonic acid bis(trimethylsilylester) | Malon
Specifications & Purity
≥97%(GC)
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organometallic compounds
Class
Organometalloid compounds
Subclass
Organosilicon compounds
Intermediate Tree Nodes
Not available
Direct Parent
Trimethylsilyl esters
Alternative Parents
Dicarboxylic acids and derivatives 1,3-dicarbonyl compounds Trialkylheterosilanes Carboxylic acid salts Organic metalloid salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Trimethylsilyl ester - 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Trialkylheterosilane - Carboxylic acid salt - Organoheterosilane - Organic metalloid salt - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as trimethylsilyl esters. These are organoheterosilanes, bearing a silicon atom that is linked to three methyl groups and is O-esterified.
External Descriptors
Not available
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.
Names and Identifiers
IUPAC Name
bis(trimethylsilyl) propanedioate
INCHI
InChI=1S/C9H20O4Si2/c1-14(2,3)12-8(10)7-9(11)13-15(4,5)6/h7H2,1-6H3
InChIKey
ATCKJLDGNXGLAO-UHFFFAOYSA-N
Smiles
C[Si](C)(C)OC(=O)CC(=O)O[Si](C)(C)C
Isomeric SMILES
C[Si](C)(C)OC(=O)CC(=O)O[Si](C)(C)C
WGK Germany
3
Molecular Weight
248.43
Beilstein
2212120
Reaxy-Rn
2212115
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2212115&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Moisture Sensitive,Heat Sensitive
Flash Point(°F)
75.2 °F
Flash Point(°C)
24°C(lit.)
Boil Point(°C)
102°C/15mmHg(lit.)
Molecular Weight
248.420 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
6
Exact Mass
248.09 Da
Monoisotopic Mass
248.09 Da
Topological Polar Surface Area
52.600 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
224.000
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
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C2525176