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1-(4-Tolyl)-1H-pyrazole-4-boronic acid - ≥95%, high purity , CAS No.1072945-92-6

COA

Grade & Purity:

≥95%

Cas Number: 1072945-92-6
Molecular Weight: 202.02
PubChem CID: 46738688

In stock

Item Number

H732741

Grouped product items
SKU	Size	Availability	Price	Qty
H732741-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$13.90
H732741-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$30.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Pyrazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Pyrazoles
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrazoles
Alternative Parents	Toluenes Heteroaromatic compounds Boronic acids Organic metalloid salts Azacyclic compounds Organonitrogen compounds Organometalloid compounds Organic oxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylpyrazole - Toluene - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Boronic acid - Boronic acid derivative - Azacycle - Organic metalloid salt - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organic metalloid moeity - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl 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	[1-(4-methylphenyl)pyrazol-4-yl]boronic acid
INCHI	InChI=1S/C10H11BN2O2/c1-8-2-4-10(5-3-8)13-7-9(6-12-13)11(14)15/h2-7,14-15H,1H3
InChIKey	KQNRHNWJXQJCRY-UHFFFAOYSA-N
Smiles	B(C1=CN(N=C1)C2=CC=C(C=C2)C)(O)O
Isomeric SMILES	B(C1=CN(N=C1)C2=CC=C(C=C2)C)(O)O
PubChem CID	46738688
Molecular Weight	202.02

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	202.020 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	202.091 Da
Monoisotopic Mass	202.091 Da
Topological Polar Surface Area	58.300 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	208.000
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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