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3-Bromo-5-butoxyphenylboronic acid(contains varying amounts of Anhydride) - 95%, high purity , CAS No.1072951-84-8

COA

Grade & Purity:

≥95%

Cas Number: 1072951-84-8
Molecular Weight: 256.93
MDL number: MFCD08457637
PubChem CID: 16218130
PubChem SID: 504768317

In stock

Item Number

B165761

Grouped product items
SKU	Size	Availability	Price
B165761-250mg	250mg	3	$19.90
B165761-1g	1g	3	$63.90
B165761-5g	5g	3	$286.90

Basic Description

Synonyms	1072951-84-8 \| 3-Bromo-5-butoxyphenylboronic acid \| (3-Bromo-5-butoxyphenyl)boronic acid \| DTXSID10584765 \| XSB95184 \| (3-Bromo-5-butoxyphenyl)boronicacid \| MFCD08457637 \| AKOS015834615 \| BS-22502 \| CS-0175932 \| E90135
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

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 Boronic acids Organic metalloid salts Organobromides Organoboron compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Boronic acid derivative - Boronic acid - Organic metalloid salt - Ether - Organic oxygen compound - Organohalogen compound - Organoboron compound - Organobromide - Organooxygen compound - Organic salt - Hydrocarbon derivative - Aromatic homomonocyclic 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

Pubchem Sid	504768317
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504768317
IUPAC Name	(3-bromo-5-butoxyphenyl)boronic acid
INCHI	InChI=1S/C10H14BBrO3/c1-2-3-4-15-10-6-8(11(13)14)5-9(12)7-10/h5-7,13-14H,2-4H2,1H3
InChIKey	OWWZXOTWNAQSTF-UHFFFAOYSA-N
Smiles	B(C1=CC(=CC(=C1)Br)OCCCC)(O)O
Isomeric SMILES	B(C1=CC(=CC(=C1)Br)OCCCC)(O)O
WGK Germany	3
Molecular Weight	256.93
Reaxy-Rn	22727940
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22727940&ln=

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
I2206256	Certificate of Analysis	Sep 14, 2022	B165761
I2206259	Certificate of Analysis	Jun 24, 2022	B165761
I2206255	Certificate of Analysis	Jun 24, 2022	B165761

Chemical and Physical Properties

Sensitivity	heat sensitive
Molecular Weight	272.930 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	272.022 Da
Monoisotopic Mass	272.022 Da
Topological Polar Surface Area	49.700 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	180.000
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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