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1-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid - 97%, high purity , CAS No.138907-81-0

COA

Grade & Purity:

≥97%

Cas Number: 138907-81-0
Molecular Weight: 206.18
EC Number: 858-702-5
PubChem CID: 3159617

In stock

Item Number

H628819

Grouped product items
SKU	Size	Availability	Price
H628819-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$46.90
H628819-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$78.90
H628819-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$220.90

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Pyrazole compounds (95)

Basic Description

Synonyms	AM20020463 \| Z317041810 \| 1H-Pyrazole-4-carboxylic acid, 1-(4-fluorophenyl)- \| 1-(4-fluorophenyl)pyrazole-4-carboxylic acid \| MFCD07186399 \| DTXSID90390200 \| OSM-S-245 \| STK691800 \| BB 0219786 \| 1-(4-fluorophenyl)-1H-pyrazole-4-carboxylicacid \| 1-(4-Fluor
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 Azoles
    - Subclass Pyrazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Pyrazoles
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrazoles
Alternative Parents	Pyrazole carboxylic acids and derivatives Fluorobenzenes Aryl fluorides Vinylogous amides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylpyrazole - Pyrazole-4-carboxylic acid or derivatives - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous amide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organofluoride - Organonitrogen compound - Organooxygen compound - 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	1-(4-fluorophenyl)pyrazole-4-carboxylic acid
INCHI	InChI=1S/C10H7FN2O2/c11-8-1-3-9(4-2-8)13-6-7(5-12-13)10(14)15/h1-6H,(H,14,15)
InChIKey	VHGLETHNIUVDGO-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1N2C=C(C=N2)C(=O)O)F
Isomeric SMILES	C1=CC(=CC=C1N2C=C(C=N2)C(=O)O)F
Alternate CAS	138907-81-0
PubChem CID	3159617
Molecular Weight	206.18

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
B2513204	Certificate of Analysis	Sep 29, 2024	H628819
B2513205	Certificate of Analysis	Sep 29, 2024	H628819
B2513206	Certificate of Analysis	Sep 29, 2024	H628819
B2513207	Certificate of Analysis	Sep 29, 2024	H628819
B2513208	Certificate of Analysis	Sep 29, 2024	H628819
B2513209	Certificate of Analysis	Sep 29, 2024	H628819

Chemical and Physical Properties

Molecular Weight	206.170 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	206.049 Da
Monoisotopic Mass	206.049 Da
Topological Polar Surface Area	55.100 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	242.000
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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