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4-(5-Oxopyrazolidin-3-yl)phenylboronic acid - 97%, high purity , CAS No.874290-64-9

COA

Grade & Purity:

≥97%

Cas Number: 874290-64-9
Molecular Weight: 206
PubChem CID: 44119849

In stock

Item Number

O187479

Grouped product items
SKU	Size	Availability	Price	Qty
O187479-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$94.90
O187479-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$427.90

Basic Description

Synonyms	874290-64-9 \| (4-(5-Oxopyrazolidin-3-yl)phenyl)boronic acid \| 4-(5-OXOPYRAZOLIDIN-3-YL)PHENYLBORONIC ACID \| 4-(5-Oxopyrazolidin-3-yl)benzeneboronic acid \| [4-(5-oxopyrazolidin-3-yl)phenyl]boronic acid \| Boronic acid,B-[4-(5-oxo-3-pyrazolidinyl)phenyl]- \| (4-(5-Oxopyr
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzene and substituted derivatives
Alternative Parents	Pyrazolidinones Carboxylic acid hydrazides Boronic acids Organic metalloid salts Azacyclic compounds Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Monocyclic benzene moiety - Pyrazolidinone - Pyrazolidine - Boronic acid derivative - Boronic acid - Carboxylic acid hydrazide - Carboxylic acid derivative - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Organic nitrogen compound - Organonitrogen compound - Organic metalloid moeity - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
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	[4-(5-oxopyrazolidin-3-yl)phenyl]boronic acid
INCHI	InChI=1S/C9H11BN2O3/c13-9-5-8(11-12-9)6-1-3-7(4-2-6)10(14)15/h1-4,8,11,14-15H,5H2,(H,12,13)
InChIKey	INZPXASHKGKJCN-UHFFFAOYSA-N
Smiles	B(C1=CC=C(C=C1)C2CC(=O)NN2)(O)O
Isomeric SMILES	B(C1=CC=C(C=C1)C2CC(=O)NN2)(O)O
Molecular Weight	206
Reaxy-Rn	30914589
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30914589&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	206.010 g/mol
XLogP3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	206.086 Da
Monoisotopic Mass	206.086 Da
Topological Polar Surface Area	81.600 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	242.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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