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potassium trifluoro(2-nitrophenyl)borate(1-) - ≥98%, high purity , CAS No.850623-64-2

COA

Grade & Purity:

≥98%

Cas Number: 850623-64-2
Molecular Weight: 229.01
MDL number: MFCD04115759
PubChem CID: 2782854

In stock

Item Number

P770615

Grouped product items
SKU	Size	Availability	Price	Qty
P770615-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$57.90
P770615-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$201.90

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 Nitrobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Nitrobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Nitrobenzenes
Alternative Parents	Nitroaromatic compounds Boronic acid derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic metalloid salts Organic metal halides Organopnictogen compounds Organonitrogen compounds Organoboron compounds Organic potassium salts Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrobenzene - Nitroaromatic compound - Boronic acid derivative - C-nitro compound - Organic nitro compound - Organic metal halide - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic alkali metal salt - Organic metalloid salt - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organic salt - Organic potassium salt - Hydrocarbon derivative - Organonitrogen compound - Organoboron compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro 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;trifluoro-(2-nitrophenyl)boranuide
INCHI	InChI=1S/C6H4BF3NO2.K/c8-7(9,10)5-3-1-2-4-6(5)11(12)13;/h1-4H;/q-1;+1
InChIKey	DZHYOFKWMHZKBK-UHFFFAOYSA-N
Smiles	[B-](C1=CC=CC=C1[N+](=O)[O-])(F)(F)F.[K+]
Isomeric SMILES	[B-](C1=CC=CC=C1[N+](=O)[O-])(F)(F)F.[K+]
WGK Germany	3
PubChem CID	2782854
Molecular Weight	229.01

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	229.010 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	228.992 Da
Monoisotopic Mass	228.992 Da
Topological Polar Surface Area	45.800 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	203.000
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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