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Potassium 3-carboxyphenyltrifluoroborate - ≥98%, high purity , CAS No.850313-91-6

COA

Grade & Purity:

≥98%

Cas Number: 850313-91-6
Molecular Weight: 228.02
MDL number: MFCD07784423
PubChem CID: 23682740

In stock

Item Number

P770612

Grouped product items
SKU	Size	Availability	Price
P770612-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$119.90
P770612-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$403.90
P770612-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,528.90

Basic Description

Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoic acids
Alternative Parents	Benzoyl derivatives Boronic acid derivatives Organic metalloid salts Organic metal halides Carboxylic acids Organooxygen compounds Organometalloid compounds Organic potassium salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoic acid - Benzoyl - Boronic acid derivative - Organic metal halide - Carboxylic acid derivative - Carboxylic acid - Organic metalloid salt - Organic alkali metal salt - Organooxygen compound - Organic metalloid moeity - Organic salt - Organic potassium salt - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
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	potassium;(3-carboxyphenyl)-trifluoroboranuide
INCHI	InChI=1S/C7H5BF3O2.K/c9-8(10,11)6-3-1-2-5(4-6)7(12)13;/h1-4H,(H,12,13);/q-1;+1
InChIKey	LKEMWADDENRLDB-UHFFFAOYSA-N
Smiles	[B-](C1=CC(=CC=C1)C(=O)O)(F)(F)F.[K+]
Isomeric SMILES	[B-](C1=CC(=CC=C1)C(=O)O)(F)(F)F.[K+]
WGK Germany	3
PubChem CID	23682740
Molecular Weight	228.02

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	228.020 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	227.997 Da
Monoisotopic Mass	227.997 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	14
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	2

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