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3-(difluoromethyl)-1-methyl-1H-pyrazol-5-ol - 97%, high purity , CAS No.129922-58-3

COA

Grade & Purity:

≥97%

Cas Number: 129922-58-3
Molecular Weight: 148.113
PubChem CID: 14614713

In stock

Item Number

D173256

Grouped product items
SKU	Size	Availability	Price	Qty
D173256-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,919.90

Basic Description

Synonyms	3-(Difluoromethyl)-1-Methyl-1H-pyrazol-5-ol \| 129922-58-3 \| 5-(difluoromethyl)-2-methyl-1H-pyrazol-3-one \| 1H-Pyrazol-5-ol, 3-(difluoromethyl)-1-methyl- \| MFCD16619807 \| 1-Methyl-3-difluoromethyl-5-hydroxy-1H-pyrazole \| SCHEMBL1364221 \| DTXSID40562192 \| VEIPKLIIXBPVCG-UH
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azolines
    - Subclass Pyrazolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azolines
Subclass	Pyrazolines
Intermediate Tree Nodes	Not available
Direct Parent	Pyrazolones
Alternative Parents	Vinylogous amides Pyrazoles Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrazolinone - Azole - Pyrazole - Vinylogous amide - Heteroaromatic compound - Lactam - Azacycle - Organic nitrogen compound - Alkyl halide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrazolones. These are compounds containing a pyrazole 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-(difluoromethyl)-2-methyl-1H-pyrazol-3-one
INCHI	InChI=1S/C5H6F2N2O/c1-9-4(10)2-3(8-9)5(6)7/h2,5,8H,1H3
InChIKey	VEIPKLIIXBPVCG-UHFFFAOYSA-N
Smiles	CN1C(=O)C=C(N1)C(F)F
Isomeric SMILES	CN1C(=O)C=C(N1)C(F)F
PubChem CID	14614713
Molecular Weight	148.113

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	148.110 g/mol
XLogP3	0.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	148.045 Da
Monoisotopic Mass	148.045 Da
Topological Polar Surface Area	32.299 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	190.000
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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