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6-Bromo-3-butoxy-2-fluorophenylboronic acid (contains varying amounts of Anhydride) - 97%, high purity , CAS No.1072951-88-2

COA

Grade & Purity:

≥97%

Cas Number: 1072951-88-2
Molecular Weight: 290.92
MDL number: MFCD08276825
PubChem CID: 16218129

In stock

Item Number

B165764

Grouped product items
SKU	Size	Availability	Price
B165764-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$31.90
B165764-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$140.90
B165764-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$631.90

Discover 6-Bromo-3-butoxy-2-fluorophenylboronic acid (contains varying amounts of Anhydride) by Aladdin Scientific in 97% for only $31.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	1072951-88-2 \| (6-Bromo-3-butoxy-2-fluorophenyl)boronic acid \| 6-Bromo-3-butoxy-2-fluorophenylboronic acid \| DTXSID50584764 \| MFCD08276825 \| AKOS015835379 \| BS-23424 \| CS-0175922 \| (6-Bromo-3-butoxy-2-fluorophenyl)boronicacid
Specifications & Purity	≥97%
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 Fluorobenzenes Bromobenzenes Alkyl aryl ethers Aryl fluorides Aryl bromides Boronic acids Organic metalloid salts Organofluorides Organobromides Organoboron compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Boronic acid - Boronic acid derivative - Organic metalloid salt - Ether - Organohalogen compound - Organic salt - Hydrocarbon derivative - Organic oxygen compound - Organoboron compound - Organobromide - Organofluoride - Organooxygen compound - 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

IUPAC Name	(6-bromo-3-butoxy-2-fluorophenyl)boronic acid
INCHI	InChI=1S/C10H13BBrFO3/c1-2-3-6-16-8-5-4-7(12)9(10(8)13)11(14)15/h4-5,14-15H,2-3,6H2,1H3
InChIKey	FMTVZGMUUYBHRB-UHFFFAOYSA-N
Smiles	B(C1=C(C=CC(=C1F)OCCCC)Br)(O)O
Isomeric SMILES	B(C1=C(C=CC(=C1F)OCCCC)Br)(O)O
WGK Germany	3
Molecular Weight	290.92
Reaxy-Rn	49574901
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=49574901&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	290.920 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	290.013 Da
Monoisotopic Mass	290.013 Da
Topological Polar Surface Area	49.700 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	209.000
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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