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

CAS: 86718-07-2 Cat. No.: E727490 Formula: C12H12N2O2 Peso molecolare: 216.24 PubChem CID: 13423940
Disponibile su ordine
GRADE & PURITY ≥98%
Synonyms
Ethyl 4-(1H-imidazol-1-YL)benzoate
Storage
Room temperature,Desiccated
Shipped In
Normal
★
Size
Germania (EU)
USA*
Price
Qty
250mg
E727490-250mg
Su ordinazione · 8–12 settimane
8,59€
1g
E727490-1g
Su ordinazione · 8–12 settimane
12,93€
5g
E727490-5g
Su ordinazione · 8–12 settimane
43,30€
Enter a quantity for the sizes you want to add.
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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.

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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

Sinonimi
Ethyl 4-(1H-imidazol-1-YL)benzoate
Specifiche e purezza
≥98%
Condizioni di conservazione di stoccaggio
Room temperature,Desiccated
Spedito in
Normal
Purezza
≥98%
Nomi e identificatori
Sorrisi canonici
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
Isomeri SMILES
CCOC(=O)C1=CC=C(C=C1)N2C=CN=C2
PubChem CID
13423940
Peso molecolare
216.24

Documentazione

📋 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

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClasseAzoles
SubclassImidazoles
Intermediate Tree Nodes Substituted imidazoles
Direct ParentPhenylimidazoles
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 FrameworkAromatic 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
DescrizioneThis 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
Struttura 3D
Modello di struttura chimica interattiva





Certificati (CoA, COO, BSE/TSE e tabella di analisi)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Proprietà chimiche e fisiche
Peso molecolare216.240 g/mol
XLogP31.900
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass216.09 Da
Monoisotopic Mass216.09 Da
Topological Polar Surface Area44.100 Ų
Heavy Atom Count16
Formal Charge0
Complexity237.000
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
Calcolatori di soluzioni
Recensioni

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