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1-(Pyridazin-4-yl)ethanone - 97%, high purity , CAS No.50901-46-7

COA

Grade & Purity:

≥97%

Cas Number: 50901-46-7
Molecular Weight: 122.12
PubChem CID: 14452005
PubChem SID: 504767643

In stock

Item Number

P176647

Grouped product items
SKU	Size	Availability	Price
P176647-100mg	100mg	2	$48.90
P176647-250mg	250mg	2	$92.90
P176647-1g	1g	1	$334.90

Basic Description

Synonyms	1-(Pyridazin-4-yl)ethanone \| 50901-46-7 \| 1-pyridazin-4-ylethanone \| 1-(PYRIDAZIN-4-YL)ETHAN-1-ONE \| 4-ACETYLPYRIDAZINE \| MFCD13193354 \| ETHANONE, 1-(4-PYRIDAZINYL)- \| 1-(4-Pyridazinyl)ethanone \| 4-Acetyl-pyridazin \| ETHANONE, 1-(4-PYRIDAZINYL)- (9CI) \| 1-Pyridazin-4-yl-etha
Specifications & Purity	≥97%
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Aryl alkyl ketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones
Direct Parent	Aryl alkyl ketones
Alternative Parents	Pyridazines and derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl alkyl ketone - Pyridazine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl 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

Pubchem Sid	504767643
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504767643
IUPAC Name	1-pyridazin-4-ylethanone
INCHI	InChI=1S/C6H6N2O/c1-5(9)6-2-3-7-8-4-6/h2-4H,1H3
InChIKey	IWFYWGOLMZIBQB-UHFFFAOYSA-N
Smiles	CC(=O)C1=CN=NC=C1
Isomeric SMILES	CC(=O)C1=CN=NC=C1
PubChem CID	14452005
Molecular Weight	122.12

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.

6 results found

Lot Number	Certificate Type	Date	Item
K2302163	Certificate of Analysis	Oct 20, 2023	P176647
K2302162	Certificate of Analysis	Oct 20, 2023	P176647
K2302165	Certificate of Analysis	Oct 20, 2023	P176647
K2302116	Certificate of Analysis	Oct 20, 2023	P176647
K2302168	Certificate of Analysis	Oct 20, 2023	P176647
K2302166	Certificate of Analysis	Oct 20, 2023	P176647

Chemical and Physical Properties

Molecular Weight	122.120 g/mol
XLogP3	-0.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	122.048 Da
Monoisotopic Mass	122.048 Da
Topological Polar Surface Area	42.900 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	114.000
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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