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3-Boronobenzohydrazide - 97%, high purity , CAS No.913835-79-7

COA

Grade & Purity:

≥97%

Cas Number: 913835-79-7
Molecular Weight: 180
PubChem CID: 44119369

In stock

Item Number

B188109

Grouped product items
SKU	Size	Availability	Price
B188109-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$49.90
B188109-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$154.90
B188109-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$696.90
B188109-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,135.90

Basic Description

Synonyms	3-Boronobenzohydrazide \| 913835-79-7 \| [3-(Hydrazinecarbonyl)phenyl]boronic acid \| 3-(Hydrazinecarbonyl)benzeneboronic acid \| (3-(Hydrazinecarbonyl)phenyl)boronic acid \| Benzoicacid, 3-borono-, hydrazide (9CI) \| 3-Boronobenzhydrazide \| SCHEMBL1445203 \| 3-aminocarbamoylph
Specifications & Purity	≥97%
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 and derivatives
Alternative Parents	Benzoyl derivatives Carboxylic acid hydrazides Boronic acids Organic metalloid salts Organooxygen compounds Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoic acid or derivatives - Benzoyl - Carboxylic acid hydrazide - Boronic acid - Boronic acid derivative - Organic metalloid salt - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
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-(hydrazinecarbonyl)phenyl]boronic acid
INCHI	InChI=1S/C7H9BN2O3/c9-10-7(11)5-2-1-3-6(4-5)8(12)13/h1-4,12-13H,9H2,(H,10,11)
InChIKey	NKQNSAXAGLKZBP-UHFFFAOYSA-N
Smiles	B(C1=CC(=CC=C1)C(=O)NN)(O)O
Isomeric SMILES	B(C1=CC(=CC=C1)C(=O)NN)(O)O
Molecular Weight	180
Reaxy-Rn	51106964
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=51106964&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	179.970 g/mol
XLogP3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	180.071 Da
Monoisotopic Mass	180.071 Da
Topological Polar Surface Area	95.600 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	189.000
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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