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5-Chloro-2,4-difluorophenylboronic acid pinacol ester , CAS No.1073354-65-0
Basic Description
Synonyms
1073354-65-0 | 2-(5-chloro-2,4-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | 5-CHLORO-2,4-DIFLUOROPHENYLBORONIC ACID PINACOL ESTER | 5-Chloro-2,4,-difluorophenylboronic acid pinacol ester | 5-Chloro-2,4-difluorobenzeneboronic acid pinacol ester | DTXSID
Specifications & Purity
≥95%
Storage Temp
Store at 2-8°C,Argon charged
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
Chlorobenzenes Aryl fluorides Aryl chlorides Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organometalloid compounds Organofluorides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Chlorobenzene - Fluorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organic oxygen compound - Organohalogen compound - Organic metalloid moeity - Organochloride - Organofluoride - Organooxygen compound - Hydrocarbon derivative - 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
Pubchem Sid
504770466
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504770466
IUPAC Name
2-(5-chloro-2,4-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
INCHI
InChI=1S/C12H14BClF2O2/c1-11(2)12(3,4)18-13(17-11)7-5-8(14)10(16)6-9(7)15/h5-6H,1-4H3
InChIKey
BSMXVFVYXLZVKL-UHFFFAOYSA-N
Smiles
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2F)F)Cl
Isomeric SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2F)F)Cl
Molecular Weight
274.49
Reaxy-Rn
37836288
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37836288&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
274.500 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
274.074 Da
Monoisotopic Mass
274.074 Da
Topological Polar Surface Area
18.500 Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
311.000
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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K2212241