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4-Methoxy-2-(trifluoromethyl)phenylboronic acid - ≥96% , CAS No.313546-16-6

4-Methoxy-2-(trifluoromethyl)phenylboronic acid - ≥96% , CAS No.313546-16-6

CAS: 313546-16-6 Cat. No.: M101015 Molecular Weight: 219.95 EC Number: 675-403-3

COA

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4-Methoxy-2-(trifluoromethyl)phenylboronic acid - ≥96% CAS No(313546-16-6) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥96%

Synonyms

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms

Specifications & Purity

≥96%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥96%

Names and Identifiers

Pubchem Sid	504766917
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504766917
Canonical Smiles	B(C1=C(C=C(C=C1)OC)C(F)(F)F)(O)O
IUPAC Name	[4-methoxy-2-(trifluoromethyl)phenyl]boronic acid
InChIKey	ZBCRZEJNAADYKG-UHFFFAOYSA-N
INCHI	1S/C8H8BF3O3/c1-15-5-2-3-7(9(13)14)6(4-5)8(10,11)12/h2-4,13-14H,1H3
Isomeric SMILES	B(C1=C(C=C(C=C1)OC)C(F)(F)F)(O)O
WGK Germany	3
Molecular Weight	219.95
Reaxy-Rn	9263194
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9263194&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

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

3D Structure

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
K1821107	Certificate of Analysis	Jun 15, 2026	M101015
K1821106	Certificate of Analysis	Jun 15, 2026	M101015
B1418033	Certificate of Analysis	Sep 16, 2025	M101015

Chemical and Physical Properties

Melt Point(°C)	168-172°C
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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