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4-Fluoro-2-(1H-pyrazol-3-yl)phenol - 97%, high purity , CAS No.288401-64-9

COA

Grade & Purity:

≥97%

Cas Number: 288401-64-9
Molecular Weight: 178.16
PubChem CID: 5068606

In stock

Item Number

F169292

Grouped product items
SKU	Size	Availability	Price
F169292-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$10.90
F169292-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$19.90
F169292-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$60.90
F169292-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$274.90

Basic Description

Synonyms	QKAHKTLLEHWJPY-UHFFFAOYSA-N \| 4-Fluoro-2-(1H-pyrazol-3-yl)phenol, 97% \| pyrazole, 31 \| 3-(5-FLUORO-2-HYDROXYPHENYL)PYRAZOLE \| MFCD00104658 \| SCHEMBL100881 \| BP-12447 \| AKOS015951141 \| BDBM24678 \| Phenol, 4-fluoro-2-(1H-pyrazol-3-yl)- \| 4-Fluoro-2-(1H-pyra
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal
Product Description	Product Describtion: 4-Fluoro-2-(1H-pyrazol-3-yl)phenol is a halo-substituted phenolic pyrazole derivative.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Pyrazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Pyrazoles
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrazoles
Alternative Parents	P-fluorophenols Fluorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Organic anions
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylpyrazole - 4-halophenol - 4-fluorophenol - Fluorobenzene - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Benzenoid - Heteroaromatic compound - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic anion - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl 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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	4-fluoro-2-(1H-pyrazol-5-yl)phenol
INCHI	InChI=1S/C9H7FN2O/c10-6-1-2-9(13)7(5-6)8-3-4-11-12-8/h1-5,13H,(H,11,12)
InChIKey	QKAHKTLLEHWJPY-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1F)C2=CC=NN2)O
Isomeric SMILES	C1=CC(=C(C=C1F)C2=CC=NN2)O
WGK Germany	3
Molecular Weight	178.16
Reaxy-Rn	11185422
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11185422&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	178.160 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	178.054 Da
Monoisotopic Mass	178.054 Da
Topological Polar Surface Area	48.900 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	179.000
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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