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4-Bromo-2-fluoro-5-(trifluoromethyl)phenylboronic acid - ≥96% , CAS No.1451393-15-9

4-Bromo-2-fluoro-5-(trifluoromethyl)phenylboronic acid - ≥96% , CAS No.1451393-15-9

CAS: 1451393-15-9 Cat. No.: B1045428 Molecular Weight: 286.81 PubChem CID: 56776611

COA

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AVAILABLE TO ORDER

GRADE & PURITY ≥96%

Storage

Room temperature

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

🧪

Why this grade

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

🌡

Storage & shipping

Room temperature Ships 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.

📚

Literature proof

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

Specifications

Specifications & Purity

≥96%

Storage

Room temperature

Purity

≥96%

Names and Identifiers

Canonical Smiles	B(C1=CC(=C(C=C1F)Br)C(F)(F)F)(O)O
IUPAC Name	[4-bromo-2-fluoro-5-(trifluoromethyl)phenyl]boronic acid
InChIKey	PKNMTVAEKUCNKC-UHFFFAOYSA-N
INCHI	1S/C7H4BBrF4O2/c9-5-2-6(10)4(8(14)15)1-3(5)7(11,12)13/h1-2,14-15H
Isomeric SMILES	B(C1=CC(=C(C=C1F)Br)C(F)(F)F)(O)O
PubChem CID	56776611
Molecular Weight	286.81

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.

Look up COA →

📊 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	Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Boronic acids Organic metalloid salts Organometalloid compounds Organofluorides Organobromides Organic oxygen compounds Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organic metalloid moeity - Organobromide - Organofluoride - 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:

Chemical and Physical Properties

Molecular Weight	286.820 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	285.942 Da
Monoisotopic Mass	285.942 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	226.000
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

Solution Calculators

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