Ethyl 2-(2-iodophenyl)acetate

Basic Information

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CAS Number

90794-29-9

Molecular Formula

C10H11IO2

Molecular Weight

290.1 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

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

304.1±17.0°C at 760 mmHg

SMILES

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CCOC(=O)CC1=CC=CC=C1I

InChI

InChI=1S/C10H11IO2/c1-2-13-10(12)7-8-5-3-4-6-9(8)11/h3-6H,2,7H2,1H3

InChIKey

XBKDPADMOCFNED-UHFFFAOYSA-N

LogP

2.3968000000000007

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

170

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Ethyl 2-(2-iodophenyl)acetate
Benzeneacetic acid, 2-iodo-, ethyl ester
Ethyl (2-iodophenyl)acetate
2-Iodobenzeneacetic acid ethyl ester
AK146854
Acetic acid, (o-iodophenyl)-, ethyl ester (7CI)
Ethyl 2-iodobenzeneacetate (ACI)
MFCD00099258
CS-0041136
AKOS022187054
90794-29-9
SCHEMBL5132516
SY121376
DB-141879
Ethyl2-(2-iodophenyl)acetate
DTXSID90562460
Ethyl 2-(2-iodophenyl)acetate, 95%
DS-8648
W17295

MDL Number

MFCD00099258

FAQ

What are the physical and chemical properties of Ethyl 2-(2-iodophenyl)acetate (CAS: 90794-29-9)?

Ethyl 2-(2-iodophenyl)acetate (CAS: 90794-29-9) is a white crystalline solid with a molecular weight of approximately 315.03 g/mol. It has a low solubility in water but is more soluble in common organic solvents like ethanol and acetone. Chemically, it is less reactive compared to other esters due to the electron-withdrawing iodine substituent, which decreases nucleophilic attack at the ester carbonyl. It displays good stability under normal conditions but may undergo hydrolysis in strongly basic conditions.

How is Ethyl 2-(2-iodophenyl)acetate (CAS: 90794-29-9) typically synthesized?

Ethyl 2-(2-iodophenyl)acetate (CAS: 90794-29-9) is typically synthesized via an iodination reaction of ethyl acetate with 2-phenylacetyl chloride in the presence of an iodide source and a base like triethylamine. The reaction is typically carried out in an inert solvent such as dichloromethane. Catalysts such as sodium iodide or potassium iodide are often used to promote the reaction, leading to a high yield of the desired product.

What industries use Ethyl 2-(2-2-iodophenyl)acetate (CAS: 90794-29-9)?

Ethyl 2-(2-iodophenyl)acetate (CAS: 90794-29-9) is used in the pharmaceutical industry for the synthesis of certain drugs due to its unique chemical structure. It is also utilized in the polymer industry as a monomer precursor and in the development of sensors and semiconductors for its ability to form stable and functional materials under various conditions.

What precautions should be taken when handling Ethyl 2-(2-iodophenyl)acetate (CAS: 90794-29-9)?

When handling Ethyl 2-(2-iodophenyl)acetate (CAS: 90794-29-9), it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a laboratory coat. Use in a well-ventilated area or a fume hood to minimize inhalation risk. Spills should be cleaned up immediately using absorbent materials, and the area should be thoroughly rinsed with water. Consult the Safety Data Sheet (SDS) for detailed handling and disposal information.