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

CAS: 138907-73-0 Cat. No.: E190794 Molecular Weight: 234.23
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
ETHYL 1-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE | DS-6703 | MFCD16036989 | AKOS015902163 | 1H-Pyrazole-4-carboxylic acid, 1-(4-fluorophenyl)-, ethyl ester | ethyl1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate | OSM-S-244 | SCHEMBL1194458 | Ethyl 1-(4-flu
Storage
Room temperature
Shipped In
Normal
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50mg
E190794-50mg
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$14.90
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250mg
E190794-250mg
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1g
E190794-1g
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
ETHYL 1-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE | DS-6703 | MFCD16036989 | AKOS015902163 | 1H-Pyrazole-4-carboxylic acid, 1-(4-fluorophenyl)-, ethyl ester | ethyl1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate | OSM-S-244 | SCHEMBL1194458 | Ethyl 1-(4-flu
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Canonical SmilesCCOC(=O)C1=CN(N=C1)C2=CC=C(C=C2)F
IUPAC Nameethyl 1-(4-fluorophenyl)pyrazole-4-carboxylate
InChIKeyMEUROLLIWZOVNK-UHFFFAOYSA-N
INCHI1S/C12H11FN2O2/c1-2-17-12(16)9-7-14-15(8-9)11-5-3-10(13)4-6-11/h3-8H,2H2,1H3
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=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassAzoles
SubclassPyrazoles
Intermediate Tree Nodes Not available
Direct ParentPhenylpyrazoles
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 FrameworkAromatic 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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight234.230 g/mol
XLogP32.200
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass234.08 Da
Monoisotopic Mass234.08 Da
Topological Polar Surface Area44.100 Ų
Heavy Atom Count17
Formal Charge0
Complexity267.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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