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3-Bromo-5-isobutoxyphenylboronic acid, pinacol ester - 98%, high purity , CAS No.1218789-48-0

COA

Grade & Purity:

≥98%

Cas Number: 1218789-48-0
Molecular Weight: 355.1
PubChem CID: 46739681

In stock

Item Number

B180319

Grouped product items
SKU	Size	Availability	Price	Qty
B180319-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$75.90
B180319-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$200.90

Basic Description

Synonyms	1218789-48-0 \| 2-(3-Bromo-5-isobutoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane \| 3-Bromo-5-isobutoxyphenylboronic acid pinacol ester \| 3-Bromo-5-isobutoxyphenylboronic acid, pinacol ester \| 2-[3-bromo-5-(2-methylpropoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dio
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenol ethers

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenol ethers
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenol ethers
Alternative Parents	Phenoxy compounds Bromobenzenes Alkyl aryl ethers Aryl bromides Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Organometalloid compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenoxy compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Ether - Organooxygen compound - Hydrocarbon derivative - Organobromide - Organic metalloid moeity - Organic oxygen compound - Organohalogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with 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-[3-bromo-5-(2-methylpropoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
INCHI	InChI=1S/C16H24BBrO3/c1-11(2)10-19-14-8-12(7-13(18)9-14)17-20-15(3,4)16(5,6)21-17/h7-9,11H,10H2,1-6H3
InChIKey	VVMZHSGGZYYKRX-UHFFFAOYSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)Br)OCC(C)C
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)Br)OCC(C)C
PubChem CID	46739681
Molecular Weight	355.1

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	355.100 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	354.1 Da
Monoisotopic Mass	354.1 Da
Topological Polar Surface Area	27.700 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	343.000
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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