Ethyl 1H-imidazole-4-carboxylate

Basic Information

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CAS Number

23785-21-9

Molecular Formula

C6H8N2O2

Molecular Weight

140.14 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

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

158.0 to 163.0 deg-C

Boiling Point

319.5°C at 760 mmHg

Water Solubility

Soluble in dimethyl sulfoxide and methanol. Slightly soluble in water.

Flash Point

147℃

SMILES

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CCOC(=O)C1=CN=CN1

InChI

InChI=1S/C6H8N2O2/c1-2-10-6(9)5-3-7-4-8-5/h3-4H,2H2,1H3,(H,7,8)

InChIKey

KLWYPRNPRNPORS-UHFFFAOYSA-N

LogP

0.5864

Topological Polar Surface Area

54.98 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

127

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

4-Imidazolecarboxylic Acid Ethyl Ester
BCP13439
AB11920
Etomidate impurity 9
23785-21-9
AKOS006335111
NIC7LR0ZON
4-CARBETHOXYIMIDAZOLE
4-(ETHOXYCARBONYL)IMIDAZOLE
AC-6894
FT-0602286
Ethyl-4-imidazolecarboxylate
CHEMBL4303392
ETHYL 3H-IMIDAZOLE-4-CARBOXYLATE
NSC 191283
NSC-191283
DTXSID60178471
E1042
Imidazole-5-carboxylic acid, ethyl ester
C 751 (PHARMACEUTICAL)
MFCD07363812
AMY4411
Ethyl imidazole-4(5)-carboxylate
A4960
1H-Imidazole-5-carboxylic acid, ethyl ester
Ethyl1H-imidazole-4-carboxylate
W10269
Ethyl 4-imidazolecarboxylate
CS-W002941
PS-5461
PD063158

MDL Number

MFCD02646639

Customs Code

2933290090

FAQ

What is Ethyl 1H-imidazole-4-carboxylate (CAS: 23785-21-9)?

Ethyl 1H-imidazole-4-carboxylate is an organic compound with the chemical formula C7H9N1O3. It is a derivative of imidazole, characterized by its carboxylate group and ethyl substituent. This compound is typically a white solid with a mild odor and is soluble in polar solvents. It is used as an intermediate in the synthesis of various pharmaceuticals and chemicals.

What are the main uses of Ethyl 1H-imidazole-4-carboxylate (CAS: 23785-21-9)?

Ethyl 1H-imidazole-4-carboxylate is primarily used in pharmaceutical research as a building block for drug development. It also finds applications in the synthesis of agrochemicals, dyes, and other organic compounds. Its utility stems from the reactivity of the imidazole ring and the carboxylate functionality, making it a valuable intermediate in chemical synthesis processes.

Is Ethyl 1H-imidazole-4-carboxylate (CAS: 23785-21-9) safe?

Ethyl 1H-imidazole-4-carboxylate is generally considered safe when handled properly. However, it should be treated with standard chemical safety precautions, such as avoiding inhalation, skin contact, and ingestion. It is advisable to use protective equipment like gloves and goggles, and to work in a well-ventilated area. Safety data sheets should be consulted for detailed handling guidelines.

How should Ethyl 1H-imidazole-4-carboxylate (CAS: 23785-21-9) be stored?

Ethyl 1H-imidazole-4-carboxylate should be stored in a cool, dry, and well-ventilated place, away from light and moisture. It is best kept in a sealed container at a temperature below 25°C. Avoid exposure to air and heat to maintain stability and prevent degradation of the compound.