Ethyl 1-iodoethyl carbonate

Basic Information

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CAS Number

80196-04-9

Molecular Formula

C5H9IO3

Molecular Weight

244.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

190.4 °C at 760 mmHg

Density

1.741

Flash Point

190.4 °C at 760 mmHg

Refractive Index

1.506

SMILES

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CCOC(=O)OC(C)I

InChI

InChI=1S/C5H9IO3/c1-3-8-5(7)9-4(2)6/h4H,3H2,1-2H3

InChIKey

BDHXJIRTSWHBPR-UHFFFAOYSA-N

LogP

1.9405000000000001

Topological Polar Surface Area

35.53 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

94.2

Synonyms & References

English

1-IODOETHYL ETHYL CARBONATE
Ethyl 1-iodoethyl Carbonate
SCHEMBL304485
DTXSID60438961
AKOS015963371
1-Iodoethylethylcarbonate
1-(ethoxycarbonyloxy)ethyl iodide
CS-0498527
BDHXJIRTSWHBPR-UHFFFAOYSA-N
80196-04-9
1-Iodoethyl ethyl carbonate
ethyl 1-iodoethyl carbonate
1-iodoethyl ethoxyformate
Carbonic acid ethyl ester 1-iodo-ethyl ester
Carbonic acid,ethyl 1-iodoethyl ester
1-(Ethoxycarbonyloxy)ethyliodide

MDL Number

MFCD09031346

FAQ

What are the physical and chemical properties of Ethyl 1-iodoethyl carbonate (CAS: 80196-04-9)?

Ethyl 1-iodoethyl carbonate (CAS: 80196-04-9) is a white crystalline solid with a molecular weight of approximately 279.01 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. This compound is known for its reactivity towards nucleophiles, particularly amines and alcohols, making it valuable in organic synthesis.

How is Ethyl 1-iodoethyl carbonate (CAS: 80196-04-9) typically synthesized?

Ethyl 1-iodoethyl carbonate (CAS: 80196-04-9) is synthesized via the reaction of ethyl carbonate with iodine in the presence of a Lewis acid catalyst, such as aluminum trichloride. The reaction proceeds to high yield, and the product is purified by recrystallization from ethanol. The use of this method ensures high purity and selectivity in the product.

What industries use Ethyl 1-iodoethyl carbonate (CAS: 80196-04-9)?

Ethyl 1-iodoethyl carbonate (CAS: 80196-04-9) is widely used in the pharmaceutical industry for the synthesis of various drug candidates. It is also used in the polymer industry as a cross-linking agent and in the development of sensors and semiconductors for its unique reactivity and functionality.

What precautions should be taken when handling Ethyl 1-iodoethyl carbonate (CAS: 80196-04-9)?

When handling Ethyl 1-iodoethyl carbonate (CAS: 80196-04-9), it is crucial to wear appropriate personal protective equipment, including gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure to vapors. Spills should be cleaned up immediately using appropriate safety protocols, and the material safety data sheet (MSDS) should always be referenced for detailed safety information.