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4-(trifluoromethyl)pyridazin-3(2H)-one - 97%, high purity , CAS No.749258-95-5

COA

Grade & Purity:

≥97%

Cas Number: 749258-95-5
Molecular Weight: 164.09
MDL number: MFCD20488934
PubChem CID: 22508459

In stock

Item Number

P634478

Grouped product items
SKU	Size	Availability	Price
P634478-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$127.90
P634478-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$178.90
P634478-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$255.90
P634478-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,025.90
P634478-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,049.90

Basic Description

Synonyms	4-(trifluoromethyl)pyridazin-3(2H)-one \| 749258-95-5 \| 5-(trifluoromethyl)-1H-pyridazin-6-one \| 4-TrifluoroMethyl-2H-pyridazin-3-one \| 4-(trifluoromethyl)-2,3-dihydropyridazin-3-one \| SCHEMBL3518131 \| SCHEMBL22585349 \| 4-trifluoromethylpyridazin-3-one \| 4
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyridazines and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyridazines and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyridazinones
Alternative Parents	Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyridazinone - Heteroaromatic compound - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyridazinones. These are compounds containing a pyridazine ring which bears a ketone.
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	5-(trifluoromethyl)-1H-pyridazin-6-one
INCHI	InChI=1S/C5H3F3N2O/c6-5(7,8)3-1-2-9-10-4(3)11/h1-2H,(H,10,11)
InChIKey	HAKAYTVRYJYKGH-UHFFFAOYSA-N
Smiles	C1=C(C(=O)NN=C1)C(F)(F)F
Isomeric SMILES	C1=C(C(=O)NN=C1)C(F)(F)F
PubChem CID	22508459
Molecular Weight	164.09

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	164.090 g/mol
XLogP3	0.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	164.02 Da
Monoisotopic Mass	164.02 Da
Topological Polar Surface Area	41.500 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	241.000
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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