Mefenpyr-diethyl - analytical standard , CAS No.135590-91-9

CAS: 135590-91-9 Cat. No.: M114485 Fórmula: C16H18Cl2N2O4 Peso molecular: 373.23 Número EC: 682-491-7
Disponible para pedir
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
Synonyms
MFCD09753375 | Q1916946 | 1H-Pyrazole-3,5-dicarboxylic acid, 1-(2,4-dichlorophenyl)-4,5-dihydro-5-methyl-, diethyl ester | FT-0688140 | Tox21_304023 | AS-17450 | Diethyl1-(2,4-dichlorophenyl)-5-methyl-4,5-dihydro-1H-pyrazole-3,5-dicarboxylate | 3-Bromo-5-
Storage
Room temperature
Shipped In
Normal
★
Size
Alemania (EU)
USA*
Price
Qty
100mg
M114485-100mg
—
3 Disponible

204,70€

238,54€
Guardar 33,84 € (14.19%)
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Why this grade

analytical standard Patrón analítico 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

Sinónimos
MFCD09753375 | Q1916946 | 1H-Pyrazole-3,5-dicarboxylic acid, 1-(2,4-dichlorophenyl)-4,5-dihydro-5-methyl-, diethyl ester | FT-0688140 | Tox21_304023 | AS-17450 | Diethyl1-(2,4-dichlorophenyl)-5-methyl-4,5-dihydro-1H-pyrazole-3,5-dicarboxylate | 3-Bromo-5-
Especificaciones y pureza
analytical standard
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Grado
Patrón analítico
Nombres e identificadores
Pubchem Sid528770758
Sonrisas canónicasCCOC(=O)C1=NN(C(C1)(C)C(=O)OCC)C2=C(C=C(C=C2)Cl)Cl
IUPAC Namediethyl 1-(2,4-dichlorophenyl)-5-methyl-4H-pyrazole-3,5-dicarboxylate
InChIKeyOPGCOAPTHCZZIW-UHFFFAOYSA-N
INCHI1S/C16H18Cl2N2O4/c1-4-23-14(21)12-9-16(3,15(22)24-5-2)20(19-12)13-7-6-10(17)8-11(13)18/h6-8H,4-5,9H2,1-3H3
Isómeros SMILES CCOC(=O)C1=NN(C(C1)(C)C(=O)OCC)C2=C(C=C(C=C2)Cl)Cl
WGK Alemania 3
Número ONU 3077
Peso molecular 373.23
Reaxy-Rn 11343245
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11343245&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
SuperclassOrganic acids and derivatives
ClaseCarboxylic acids and derivatives
SubclassAmino acids, peptides, and analogues
Intermediate Tree Nodes Amino acids and derivatives
Direct ParentAlpha amino acids and derivatives
Alternative Parents Dichlorobenzenes  Dicarboxylic acids and derivatives  Aryl chlorides  Pyrazolines  N-alkylated hydrazones  Carboxylic acid esters  Azacyclic compounds  Organopnictogen compounds  Organochlorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Alpha-amino acid or derivatives - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Pyrazoline - Carboxylic acid ester - N-alkylated hydrazone - Azacycle - Organoheterocyclic compound - Hydrazone - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR1H4 Tclin Bile acid receptor FXR (6228 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

1 results found

Lot NumberCertificate TypeFechaArticulo
E1421022Certificate of AnalysisOct 14, 2025 M114485
Propiedades químicas y físicas
Peso molecular373.200 g/mol
XLogP33.900
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass372.064 Da
Monoisotopic Mass372.064 Da
Topological Polar Surface Area68.200 Ų
Heavy Atom Count24
Formal Charge0
Complexity528.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
Reseñas

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