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3,4-Bis(trifluoromethyl) phenylboronic acid(contains varying amounts of Anhydride) - 96%, high purity , CAS No.1204745-88-9

COA

Grade & Purity:

≥96%

Cas Number: 1204745-88-9
Molecular Weight: 257.9
PubChem CID: 52982881

In stock

Item Number

B180099

Grouped product items
SKU	Size	Availability	Price
B180099-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$99.90
B180099-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$159.90
B180099-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$389.90

Basic Description

Synonyms	1204745-88-9 \| 3,4-Bis(trifluoromethyl)phenylboronic acid \| (3,4-BIS(TRIFLUOROMETHYL)PHENYL)BORONIC ACID \| [3,4-bis(trifluoromethyl)phenyl]boronic acid \| 3,4-Bis(trifluoromethyl) Phenylboronic acid \| 3,4-Bis(trifluoromethyl)phenylboronicacid \| SCHEMBL3789433 \| DTXSID10
Specifications & Purity	≥96%
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	Boronic acids Organic metalloid salts Organometalloid compounds Organofluorides Organic oxygen compounds Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organofluoride - Organic metalloid moeity - Organohalogen compound - 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

IUPAC Name	[3,4-bis(trifluoromethyl)phenyl]boronic acid
INCHI	InChI=1S/C8H5BF6O2/c10-7(11,12)5-2-1-4(9(16)17)3-6(5)8(13,14)15/h1-3,16-17H
InChIKey	GIZQTQOXIWPFOA-UHFFFAOYSA-N
Smiles	B(C1=CC(=C(C=C1)C(F)(F)F)C(F)(F)F)(O)O
Isomeric SMILES	B(C1=CC(=C(C=C1)C(F)(F)F)C(F)(F)F)(O)O
Molecular Weight	257.9
Reaxy-Rn	20557181
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20557181&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	257.930 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	1
Exact Mass	258.029 Da
Monoisotopic Mass	258.029 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	264.000
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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