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3,5-Dichloro-4-methylphenylboronic acid, pinacol ester - 95%, high purity , CAS No.942069-73-0

COA

Grade & Purity:

≥95%

Cas Number: 942069-73-0
Molecular Weight: 287
PubChem CID: 53217164

In stock

Item Number

D188487

Grouped product items
SKU	Size	Availability	Price	Qty
D188487-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$200.90
D188487-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$700.90

Basic Description

Synonyms	942069-73-0 \| 2-(3,5-DICHLORO-4-METHYLPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE \| 3,5-Dichloro-4-methylphenylboronic acid, pinacol ester \| SCHEMBL2204718 \| DTXSID60682265 \| SZTBWTOKHBQRKC-UHFFFAOYSA-N \| MFCD12407205 \| AKOS015849008 \| BS-24652 \| CS-0006403 \| FT-0765759 \|
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Halobenzenes
      - Level5 Chlorobenzenes
        Level6 Dichlorobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Chlorobenzenes
Direct Parent	Dichlorobenzenes
Alternative Parents	Toluenes Aryl chlorides Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organometalloid compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	1,3-dichlorobenzene - Toluene - Aryl chloride - Aryl halide - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organic metalloid moeity - Organochloride - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
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-(3,5-dichloro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
INCHI	InChI=1S/C13H17BCl2O2/c1-8-10(15)6-9(7-11(8)16)14-17-12(2,3)13(4,5)18-14/h6-7H,1-5H3
InChIKey	SZTBWTOKHBQRKC-UHFFFAOYSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)Cl)C)Cl
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)Cl)C)Cl
Molecular Weight	287
Reaxy-Rn	9489468
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9489468&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	287.000 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	286.07 Da
Monoisotopic Mass	286.07 Da
Topological Polar Surface Area	18.500 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	294.000
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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