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

Basic Information

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CAS Number

86718-07-2

Molecular Formula

C12H12N2O2

Molecular Weight

216.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

366℃ at 760 mmHg

Flash Point

175.2℃

SMILES

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

InChI

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

InChIKey

JXZSKUXJSZZMON-UHFFFAOYSA-N

LogP

2.049

Topological Polar Surface Area

44.120000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

237

Synonyms & References

English

4-(IMIDAZOL-1-YL)-BENZOIC ACID ETHYL ESTER
RARECHEM AL BI 0793
Ethyl 4-Imidazolylbenzoate
Ethyl 4-(1H-Imidazol-1-yl)benzoate
Ethyl 4-(1-IMidazolyl)benzoate
ETHYL 6-IMIDAZOL-1-YLPYRIDINE-3-CARBOXYLATE
Benzoic acid, 4-(1H-imidazol-1-yl)-, ethyl ester
Ethyl 4-(1H-imidazol-1-yl)benzoate
Ethyl 4-(1-Imidazolyl)benzoate
Benzoicacid, 4-(1H-imidazol-1-yl)-, ethyl ester
ethyl 4-imidazol-1-ylbenzoate
PubChem22690
Ethyl4-(1-Imidazolyl)benzoate
Ethyl 4-(imidazol-1-yl)benzoate
JXZSKUXJSZZMON-UHFFFAOYSA-N
ethyl 4(1H-imidazol-1-yl)benzoate
6749AJ
KM2437
TRA0082270
SY003600
4-(1-Imidazolyl)benzoic acid ethyl ester
4-(imidazol-1-yl)benzoic acid ethyl ester
FT-0

MDL Number

MFCD03425368

Customs Code

2933290090

FAQ

What regulatory guidelines apply to Ethyl 4-(1H-imidazol-1-yl)benzoate (CAS: 86718-07-2)?

Ethyl 4-(1H-imidazol-1-yl)benzoate (CAS: 86718-07-2) falls under regulatory guidelines such as GHS classification, which includes health, environmental, and physical hazards. It is also subject to REACH regulations in the European Union, which require registration, evaluation, and authorization of chemical substances. Additionally, FDA and EPA requirements apply for its use in pharmaceuticals and agricultural products, respectively.

Are there alternatives to Ethyl 4-(1H-imidazol-1-yl)benzoate in synthesis?

Several alternatives can be used in the synthesis of Ethyl 4-(1H-imidazol-1-yl)benzoate. Commonly, analogs such as Ethyl 4-(1H-pyrazol-1-yl)benzoate or Ethyl 4-(1H-tetrazol-1-yl)benzoate can be considered. Other substitute reagents include imidazoles with different substituents or different aromatic rings. The choice of alternative depends on desired properties and specific application requirements.

What is the market or research trend for Ethyl 4-(1H-imidazol-1-yl)benzoate (CAS: 86718-07-2)?

The market for Ethyl 4-(1H-imidazol-1-yl)benzoate (CAS: 86718-07-2) is growing due to its use in pharmaceuticals and as a precursor in organic synthesis. Research trends focus on its biological activity and potential applications in drug discovery. Price trends show a steady increase driven by growing demand and production costs. Emerging studies are exploring its use in developing new drug candidates and functional materials.

How should waste containing Ethyl 4-(1H-imidazol-1-yl)benzoate (CAS: 86718-07-2) be handled?

Waste containing Ethyl 4-(1H-imidazol-1-yl)benzoate (CAS: 86718-07-2) should be collected in appropriate containers and stored separately to prevent contamination. It should be incinerated or disposed of through professional waste disposal services. Environmental protection precautions include ensuring proper ventilation and personal protective equipment use during handling. Compliance with local hazardous waste regulations is mandatory.