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2-(4-Fluoro-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane - 98%, high purity , CAS No.815631-56-2
Basic Description
Synonyms
SCHEMBL6311907 | 4-Fluoro-2-methylphenylboronic acid, pinacol ester, AldrichCPR | 4-Fluoro-2-methylphenylboronic acid pinacol ester | FS-3957 | 2-(4-Fluoro-2-methyl-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane | AKOS015960094 | EN300-1425755 | DTXSID0
Specifications & Purity
≥98%
Storage Temp
Store at 2-8°C,Desiccated
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Halobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Fluorobenzenes
Alternative Parents
Toluenes Aryl fluorides Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organofluorides Organoboron compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Fluorobenzene - Toluene - Aryl fluoride - Aryl halide - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organohalogen compound - Organic salt - Hydrocarbon derivative - Organic oxygen compound - Organoboron compound - Organofluoride - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
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-(4-fluoro-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
INCHI
InChI=1S/C13H18BFO2/c1-9-8-10(15)6-7-11(9)14-16-12(2,3)13(4,5)17-14/h6-8H,1-5H3
InChIKey
HHWOQSZBVGPYMH-UHFFFAOYSA-N
Smiles
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)F)C
Isomeric SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)F)C
Molecular Weight
236.09
Reaxy-Rn
14364592
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14364592&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
236.090 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
236.138 Da
Monoisotopic Mass
236.138 Da
Topological Polar Surface Area
18.500 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
277.000
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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