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Ethyl 4-(1-Imidazolyl)benzoate - ≥98% , CAS No.86718-07-2

Ethyl 4-(1-Imidazolyl)benzoate - ≥98% , CAS No.86718-07-2

Name: Ethyl 4-(1-Imidazolyl)benzoate - ≥98% , CAS No.86718-07-2
SKU: E727490
Availability: InStock

CAS: 86718-07-2 Cat. No.: E727490 Summenformel: C₁₂H₁₂N₂O₂ Molekulargewicht: 216.24 PubChem CID: 13423940

COA

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Ethyl 4-(1-Imidazolyl)benzoate - ≥97% CAS No(86718-07-2) by Aladdin Scientific

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GRADE & PURITY ≥98%

Synonyms

Ethyl 4-(1H-imidazol-1-YL)benzoate

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications Namen und Kennungen Documentation Advanced Data Taxonomic Classification 3D-Struktur Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm) Chemische und physikalische Eigenschaften Lösungsrechner Bewertungen

🧪

Why this grade

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

🌡

Storage & shipping

Room temperature,Desiccated Ships Normal 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

Synonyme

Ethyl 4-(1H-imidazol-1-YL)benzoate

Spezifikationen & Reinheit

≥98%

Storage

Room temperature,Desiccated

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

CCOC(=O)C1=CC=C(C=C1)N2C=CN=C2

IUPAC Name

ethyl 4-imidazol-1-ylbenzoate

InChIKey

JXZSKUXJSZZMON-UHFFFAOYSA-N

INCHI

1S/C12H12N2O2/c1-2-16-12(15)10-3-5-11(6-4-10)14-8-7-13-9-14/h3-9H,2H2,1H3

Isomere SMILES

CCOC(=O)C1=CC=C(C=C1)N2C=CN=C2

PubChem CID

13423940

Molekulargewicht

216.24

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 Organoheterocyclic compounds
  - Klasse Azoles
    - Subclass Imidazoles
      - Ebene5 Substituted imidazoles
        Ebene6 Phenylimidazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Klasse	Azoles
Subclass	Imidazoles
Intermediate Tree Nodes	Substituted imidazoles
Direct Parent	Phenylimidazoles
Alternative Parents	Benzoic acid esters Imidazolyl carboxylic acids and derivatives Benzoyl derivatives N-substituted imidazoles Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	1-phenylimidazole - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Imidazolyl carboxylic acid derivative - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Beschreibung	This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
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

3D-Struktur

Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)

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

Analytical Chart:

Chemische und physikalische Eigenschaften

Molekulargewicht	216.240 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	216.09 Da
Monoisotopic Mass	216.09 Da
Topological Polar Surface Area	44.100 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	237.000
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

Lösungsrechner

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