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3-Isopropoxy-5-trifluoromethylphenylboronic acid - 97%, high purity , CAS No.1256345-44-4

COA

Grade & Purity:

≥97%

Cas Number: 1256345-44-4
Molecular Weight: 248
PubChem CID: 53216259

In stock

Item Number

I180608

Grouped product items
SKU	Size	Availability	Price	Qty
I180608-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$91.90
I180608-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$409.90

Discover 3-Isopropoxy-5-trifluoromethylphenylboronic acid by Aladdin Scientific in 97% for only $91.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	1256345-44-4 \| 3-ISOPROPOXY-5-TRIFLUOROMETHYLPHENYLBORONIC ACID \| (3-Isopropoxy-5-(trifluoromethyl)phenyl)boronic acid \| [3-propan-2-yloxy-5-(trifluoromethyl)phenyl]boronic acid \| (3-Isopropoxy-5-(trifluoromethyl)-phenyl)boronic acid \| DTXSID40681514 \| BPKZAAHUIMXNLY
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Trifluoromethylbenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Trifluoromethylbenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Trifluoromethylbenzenes
Alternative Parents	Phenoxy compounds Phenol ethers Alkyl aryl ethers Boronic acids Organic metalloid salts Organometalloid compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - Phenoxy compound - Phenol ether - Alkyl aryl ether - Boronic acid derivative - Boronic acid - Organic metalloid salt - Ether - Organic metalloid moeity - Organohalogen compound - Alkyl fluoride - Organic oxygen compound - Hydrocarbon derivative - Alkyl halide - Organofluoride - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
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	[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]boronic acid
INCHI	InChI=1S/C10H12BF3O3/c1-6(2)17-9-4-7(10(12,13)14)3-8(5-9)11(15)16/h3-6,15-16H,1-2H3
InChIKey	BPKZAAHUIMXNLY-UHFFFAOYSA-N
Smiles	B(C1=CC(=CC(=C1)OC(C)C)C(F)(F)F)(O)O
Isomeric SMILES	B(C1=CC(=CC(=C1)OC(C)C)C(F)(F)F)(O)O
Molecular Weight	248
Reaxy-Rn	36785153
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=36785153&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	248.010 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	248.083 Da
Monoisotopic Mass	248.083 Da
Topological Polar Surface Area	49.700 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	245.000
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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