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2-Methoxy-4-(trifluoromethyl)benzeneboronic acid（contains varying amounts of Anhydride） - 98%, high purity , CAS No.312936-89-3

COA

Grade & Purity:

≥98%

Cas Number: 312936-89-3
Molecular Weight: 219.95
PubChem CID: 24901776
PubChem SID: 504769902

In stock

Item Number

M192668

Grouped product items
SKU	Size	Availability	Price
M192668-1g	1g	3	$32.90
M192668-5g	5g	3	$98.90
M192668-25g	25g	3	$460.90
M192668-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,656.90

Basic Description

Synonyms	Boronic acid, [2-methoxy-4-(trifluoromethyl)phenyl]- \| 2-methoxy-4-(trifluoromethyl)phenylboronic acid \| J-018366 \| DS-17530 \| DTXSID50647883 \| SCHEMBL2463852 \| 2-Methoxy-4-(trifluoromethyl)-phenylboronic acid \| AKOS015851739 \| MFCD03428511 \| [2-methoxy-4
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C
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 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 Methoxybenzenes Anisoles Alkyl aryl ethers Boronic acids Organic metalloid salts Organometalloid compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Boronic acid derivative - Boronic acid - Organic metalloid salt - Ether - Organic oxygen compound - Organohalogen compound - Organic metalloid moeity - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Alkyl halide - Alkyl fluoride - 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

Pubchem Sid	504769902
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504769902
IUPAC Name	[2-methoxy-4-(trifluoromethyl)phenyl]boronic acid
INCHI	InChI=1S/C8H8BF3O3/c1-15-7-4-5(8(10,11)12)2-3-6(7)9(13)14/h2-4,13-14H,1H3
InChIKey	UCNRYDKUBYQIOW-UHFFFAOYSA-N
Smiles	B(C1=C(C=C(C=C1)C(F)(F)F)OC)(O)O
Isomeric SMILES	B(C1=C(C=C(C=C1)C(F)(F)F)OC)(O)O
Molecular Weight	219.95
Reaxy-Rn	9127598
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9127598&ln=

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

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

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
C2023186	Certificate of Analysis	Jan 18, 2024	M192668
J2229347	Certificate of Analysis	Jun 24, 2022	M192668
J2229348	Certificate of Analysis	Jun 24, 2022	M192668
J2229352	Certificate of Analysis	Jun 24, 2022	M192668

Chemical and Physical Properties

Molecular Weight	219.960 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	220.052 Da
Monoisotopic Mass	220.052 Da
Topological Polar Surface Area	49.700 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	210.000
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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