Skip to the beginning of the images gallery

1-(1H-Indazol-3-yl)ethanone - 97%, high purity , CAS No.4498-72-0

COA

Grade & Purity:

≥97%

Cas Number: 4498-72-0
Molecular Weight: 160.17
MDL number: MFCD08234921
PubChem CID: 15684169
PubChem SID: 504767931

In stock

Item Number

A300260

Grouped product items
SKU	Size	Availability	Price
A300260-25mg	25mg	3	$9.90
A300260-1g	1g	3	$98.90
A300260-5g	5g	3	$436.90
A300260-10g	10g	2	$786.90
A300260-25g	25g	2	$1,808.90

Basic Description

Synonyms	1-(1H-indazol-3-yl)ethanone \| 4498-72-0 \| 3-Acetylindazole \| 1-(1H-indazol-3-yl)ethan-1-one \| 1-(1h-indazol-3-yl)-ethanone \| MFCD08234921 \| Ethanone, 1-(1H-indazol-3-yl)- \| Acetylindazol \| acetyl indazole \| 3-acetyl indazole \| SCHEMBL217086 \| 1-(1H-Indazole-3-Yl)Ethanone \| DTXSI
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzopyrazoles
    - Subclass Indazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzopyrazoles
Subclass	Indazoles
Intermediate Tree Nodes	Not available
Direct Parent	Indazoles
Alternative Parents	Aryl alkyl ketones Benzenoids Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzopyrazole - Indazole - Aryl ketone - Aryl alkyl ketone - Benzenoid - Azole - Pyrazole - Heteroaromatic compound - Ketone - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a 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

Pubchem Sid	504767931
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504767931
IUPAC Name	1-(1H-indazol-3-yl)ethanone
INCHI	InChI=1S/C9H8N2O/c1-6(12)9-7-4-2-3-5-8(7)10-11-9/h2-5H,1H3,(H,10,11)
InChIKey	BJEQUPDOOXOTLG-UHFFFAOYSA-N
Smiles	CC(=O)C1=NNC2=CC=CC=C21
Isomeric SMILES	CC(=O)C1=NNC2=CC=CC=C21
Molecular Weight	160.17
Reaxy-Rn	5251
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5251&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

8 results found

Lot Number	Certificate Type	Date	Item
J2228177	Certificate of Analysis	Sep 06, 2022	A300260
J2228180	Certificate of Analysis	Sep 06, 2022	A300260
J2228184	Certificate of Analysis	Sep 06, 2022	A300260
J2228183	Certificate of Analysis	Sep 06, 2022	A300260
K2422076	Certificate of Analysis	Sep 06, 2022	A300260
K2422077	Certificate of Analysis	Sep 06, 2022	A300260
K2422075	Certificate of Analysis	Sep 06, 2022	A300260
J2228276	Certificate of Analysis	Sep 06, 2022	A300260

Chemical and Physical Properties

Molecular Weight	160.170 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	160.064 Da
Monoisotopic Mass	160.064 Da
Topological Polar Surface Area	45.800 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	193.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration