Ethyl 4-iodobenzoate

Basic Information

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CAS Number

51934-41-9

Molecular Formula

C9H9IO2

Molecular Weight

276.07 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

283°C

Refractive Index

n20/D 1.5880(lit.)

SMILES

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CCOC(=O)C1=CC=C(C=C1)I

InChI

InChI=1S/C9H9IO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3

InChIKey

YCBJOQUNPLTBGG-UHFFFAOYSA-N

LogP

2.4679

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

151

Safety Information

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GHS Hazard Pictograms

H319

Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Class LIGHT SENSITIVE Class LIGHT SENSITIVE

Sensitiveness

Light Sensitive

Synonyms & References

English

51934-41-9
Tox21_202840
1-iodo-4-(ethoxycarbonyl)benzene
AKOS005258847
UNII-52J05H935T
CS-W007981
YCBJOQUNPLTBGG-UHFFFAOYSA-
ethyl-4 iodobenzoate
W-200554
Q27261009
4-Iodobenzoic Acid Ethyl Ester
p-Iodobenzoic acid ethyl ester
Ethyl 4-iodobenzoate
DTXCID5029267
52J05H935T
CAS-51934-41-9
FT-0625764
PS-7245
I0369
para-carbethoxy iodo-benzene
Benzoic acid, 4-iodo-, ethyl ester
SCHEMBL203959
ethyl-4-iodo-benzoate
Ethyl 4-iodobenzoate, 97%
MFCD00017344
ETHYL4-IODOBENZOATE
ethyl-4-iodobenzoate
Ethyl -4-iodobenzoate
EN300-138264
AM20040617
NCGC00260386-01

MDL Number

MFCD00017344

Customs Code

2916399090

FAQ

What are the physical and chemical properties of Ethyl 4-iodobenzoate (CAS: 51934-41-9)?

Ethyl 4-iodobenzoate has a crystalline form with a molecular weight of approximately 326.23 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. The compound is less reactive compared to other halogenated benzoic acids but can undergo substitution reactions. It has a pKa value of around 4.5, indicating some acidity.

How is Ethyl 4-iodobenzoate (CAS: 51934-41-9) typically synthesized?

Ethyl 4-iodobenzoate is typically synthesized through the reaction of 4-hydroxybenzoic acid with sodium iodide in the presence of an organic base such as triethylamine. The reaction is conducted in an organic solvent like ethanol or acetonitrile. The yield is generally high, and the reaction is known for its good selectivity towards iodination.

What industries use Ethyl 4-iodobenzoate (CAS: 51934-41-9)?

Ethyl 4-iodobenzoate finds applications in the pharmaceutical industry, particularly in the synthesis of certain drugs. It is also used in the polymer industry to produce iodinated polymers with specific properties. Additionally, it has potential uses in the production of sensors and semiconductors where iodine functionalities are required.

What precautions should be taken when handling Ethyl 4-iodobenzoate (CAS: 51934-41-9)?

When handling Ethyl 4-iodobenzoate (CAS: 51934-41-9), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work must be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate methods and materials, and the area should be thoroughly washed. It is crucial to have a safety data sheet (SDS) readily available for reference in case of emergencies.