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Ethyl 4-(2-cyanophenyl)benzoate - ≥97% , CAS No.501427-88-9

Ethyl 4-(2-cyanophenyl)benzoate - ≥97% , CAS No.501427-88-9

Name: Ethyl 4-(2-cyanophenyl)benzoate - ≥97% , CAS No.501427-88-9
SKU: E1018466
Availability: InStock

CAS: 501427-88-9 Cat. No.: E1018466 Fórmula: C₁₆H₁₃NO₂ Peso molecular: 251.28 PubChem CID: 70700043

COA

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Disponível para encomenda

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications Nomes e identificadores Documentation Advanced Data Taxonomic Classification Estrutura 3D Certificados（CoA,COO,BSE/TSE e Mapa de Análise) Propriedades químicas e físicas Calculadoras de soluções Revisões

🧪

Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

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

📋

Quality documents

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

📚

Literature proof

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

Specifications

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥97%

Nomes e identificadores

Sorrisos canónicos	CCOC(=O)C1=CC=C(C=C1)C2=CC=CC=C2C#N
IUPAC Name	ethyl 4-(2-cyanophenyl)benzoate
InChIKey	TVVQJLZUDQSXEA-UHFFFAOYSA-N
INCHI	1S/C16H13NO2/c1-2-19-16(18)13-9-7-12(8-10-13)15-6-4-3-5-14(15)11-17/h3-10H,2H2,1H3
SMILES isoméricas	CCOC(=O)C1=CC=C(C=C1)C2=CC=CC=C2C#N
PubChem CID	70700043
Peso molecular	251.28

Documentation

📋 Safety Data Sheet (SDS)

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

Download SDS →

✅ Certificate of Analysis (COA)

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

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Classe Benzene and substituted derivatives
    - Subclass Biphenyls and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Classe	Benzene and substituted derivatives
Subclass	Biphenyls and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Biphenylcarbonitriles
Alternative Parents	Benzoic acid esters Benzoyl derivatives Benzonitriles Carboxylic acid esters Nitriles Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Biphenylcarbonitrile - Benzoate ester - Benzoic acid or derivatives - Benzonitrile - Benzoyl - Carboxylic acid ester - Carboxylic acid derivative - Carbonitrile - Nitrile - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
Descrição	This compound belongs to the class of organic compounds known as biphenylcarbonitriles. These are organic compounds containing an acetonitrile with one hydrogen replaced by a biphenyl 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

Estrutura 3D

Certificados（CoA,COO,BSE/TSE e Mapa de Análise)

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

Analytical Chart:

Propriedades químicas e físicas

Peso molecular	251.280 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	251.095 Da
Monoisotopic Mass	251.095 Da
Topological Polar Surface Area	50.100 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	349.000
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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Revisões

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