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Ethyl 1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate - 98%, high purity , CAS No.138907-73-0

COA

Grade & Purity:

≥98%

Cas Number: 138907-73-0
Molecular Weight: 234.23
PubChem CID: 14994516

In stock

Item Number

E190794

Grouped product items
SKU	Size	Availability	Price
E190794-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$18.90
E190794-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$78.90
E190794-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$195.90

Discover Ethyl 1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate by Aladdin Scientific in 98% for only $18.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	ETHYL 1-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE \| 138907-73-0 \| Ethyl 1-(4-fluorophenyl)pyrazole-4-carboxylate \| 1H-Pyrazole-4-carboxylic acid, 1-(4-fluorophenyl)-, ethyl ester \| MFCD16036989 \| SCHEMBL1194458 \| OSM-S-244 \| DTXSID10566687 \| MEUROLLIWZOVNK-UHFFFAOYSA-N \|
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

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 acid esters 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 ester - Carboxylic acid derivative - Azacycle - Organohalogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organonitrogen 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

Names and Identifiers

IUPAC Name	ethyl 1-(4-fluorophenyl)pyrazole-4-carboxylate
INCHI	InChI=1S/C12H11FN2O2/c1-2-17-12(16)9-7-14-15(8-9)11-5-3-10(13)4-6-11/h3-8H,2H2,1H3
InChIKey	MEUROLLIWZOVNK-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=CN(N=C1)C2=CC=C(C=C2)F
Isomeric SMILES	CCOC(=O)C1=CN(N=C1)C2=CC=C(C=C2)F
Molecular Weight	234.23
Reaxy-Rn	6599566
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6599566&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	234.230 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	234.08 Da
Monoisotopic Mass	234.08 Da
Topological Polar Surface Area	44.100 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	267.000
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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