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4,4,6-Trimethyl-2-vinyl-1,3,2-dioxaborinane stabilized with 5-10% THF - 90~95%, high purity , CAS No.4627-10-5
Basic Description
Synonyms
4,4,6-Trimethyl-2-vinyl-1,3,2-dioxaborinane | 4627-10-5 | 2-ethenyl-4,4,6-trimethyl-1,3,2-dioxaborinane | Vinylboronic acid 2-methyl-2,4-pentanediol ester | SCHEMBL585758 | DTXSID90963534 | LFOAVJXWGLVDDI-UHFFFAOYSA-N | EINECS 225-039-2 | MFCD00066915 | AKOS025309982 | AB027
Specifications & Purity
90~95%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Boronic acid derivatives
Subclass
Boronic acid esters
Intermediate Tree Nodes
Not available
Direct Parent
Boronic acid esters
Alternative Parents
Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organoboron compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Boronic acid ester - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organoboron compound - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as boronic acid esters. These are compounds comprising the boronic acid ester functional group RN(X)OR' (R,R'=alkyl, aryl; X= any O, N, Hal residue).
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
2-ethenyl-4,4,6-trimethyl-1,3,2-dioxaborinane
INCHI
InChI=1S/C8H15BO2/c1-5-9-10-7(2)6-8(3,4)11-9/h5,7H,1,6H2,2-4H3
InChIKey
LFOAVJXWGLVDDI-UHFFFAOYSA-N
Smiles
B1(OC(CC(O1)(C)C)C)C=C
Isomeric SMILES
B1(OC(CC(O1)(C)C)C)C=C
Molecular Weight
154.01
Reaxy-Rn
971612
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=971612&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
154.020 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
154.117 Da
Monoisotopic Mass
154.117 Da
Topological Polar Surface Area
18.500 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
156.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
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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