3-Bromo-2-isopropoxyphenylboronic acid - 97%, high purity , CAS No.870718-04-0

In stock

Item Number

B300921

Grouped product items
SKU	Size	Availability	Price
B300921-100mg	100mg	1	$28.90
B300921-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$41.90
B300921-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$163.90

Basic Description

Synonyms	3-Bromo-2-isopropoxyphenylboronic acid \| 870718-04-0 \| (3-Bromo-2-isopropoxyphenyl)boronic acid \| (3-bromo-2-propan-2-yloxyphenyl)boronic acid \| MFCD05664347 \| SCHEMBL3319646 \| DTXSID50584426 \| VJB71804 \| AKOS015834081 \| AB22363 \| (3-Bromo-2-isopropoxyphenyl)boronicacid \| AS-5
Specifications & Purity	≥97%
Shipped In	Normal

Names and Identifiers

Pubchem Sid	504768265
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504768265
IUPAC Name	(3-bromo-2-propan-2-yloxyphenyl)boronic acid
INCHI	InChI=1S/C9H12BBrO3/c1-6(2)14-9-7(10(12)13)4-3-5-8(9)11/h3-6,12-13H,1-2H3
InChi Key	FKHTXEIXJGJOCH-UHFFFAOYSA-N
Canonical SMILES	B(C1=C(C(=CC=C1)Br)OC(C)C)(O)O
Isomeric SMILES	B(C1=C(C(=CC=C1)Br)OC(C)C)(O)O
Molecular Weight	258.91
Reaxy-Rn	20009013
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20009013&ln=

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

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

Analytical Chart:

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Lot Number	Certificate Type	Date	Item
H2127297	Certificate of Analysis	Jun 06, 2024	B300921

Chemical and Physical Properties

Molecular Weight	258.910 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	258.006 Da
Monoisotopic Mass	258.006 Da
Topological Polar Surface Area	49.700 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	177.000
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

Safety and Hazards(GHS)

Pictogram(s)	GHS07
Signal	Warning
Hazard Statements	H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation H302:Harmful if swallowed
Precautionary Statements	P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection.
Reaxy-Rn	20009013
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20009013&ln=

Purity(HPLC)

97-100（%）

Proton NMR spectrum

Conforms to Structure

Solution Calculators

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Basic Description