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2-(2-Chloro-5-fluoro-3-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane - 95%, high purity , CAS No.2121512-19-2

COA

Grade & Purity:

≥95%

Cas Number: 2121512-19-2
Molecular Weight: 270.54
PubChem CID: 131676901

In stock

Item Number

C588108

Grouped product items
SKU	Size	Availability	Price
C588108-100mg	100mg	3	$40.90
C588108-250mg	250mg	3	$82.90
C588108-1g	1g	2	$216.90
C588108-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$972.90

Basic Description

Synonyms	2-Chloro-5-fluoro-3-methylphenylboronic acid pinacol ester \| 2-(2-chloro-5-fluoro-3-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane \| DTXSID101137910 \| 1,3,2-Dioxaborolane, 2-(2-chloro-5-fluoro-3-methylphenyl)-4,4,5,5-tetramethyl- \| E84825 \| BS-4565
Specifications & Purity	≥95%
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

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Halobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Fluorobenzenes
Alternative Parents	Chlorobenzenes Dioxaborolanes Boronic acid esters Vinyl fluorides Vinyl chlorides Oxacyclic compounds Organic metalloid salts Fluoroalkenes Chloroalkenes Organooxygen compounds Organofluorides Organochlorides Organoboron compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Fluorobenzene - Chlorobenzene - 1,3,2-dioxaborolane - Boronic acid ester - Boronic acid derivative - Oxacycle - Organic metalloid salt - Fluoroalkene - Chloroalkene - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl fluoride - Vinyl chloride - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organofluoride - Organochloride - Organoboron compound - Organohalogen 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
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	2-(2-chloro-5-fluoro-3-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
INCHI	InChI=1S/C13H17BClFO2/c1-8-6-9(16)7-10(11(8)15)14-17-12(2,3)13(4,5)18-14/h6-7H,1-5H3
InChIKey	KDNDUYADYSXEJB-UHFFFAOYSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2Cl)C)F
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2Cl)C)F
PubChem CID	131676901
Molecular Weight	270.54

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
H2331265	Certificate of Analysis	Aug 18, 2023	C588108
H2331262	Certificate of Analysis	Aug 18, 2023	C588108
H2331263	Certificate of Analysis	Aug 18, 2023	C588108
H2331261	Certificate of Analysis	Aug 18, 2023	C588108

Chemical and Physical Properties

Molecular Weight	270.540 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	270.099 Da
Monoisotopic Mass	270.099 Da
Topological Polar Surface Area	18.500 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	308.000
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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