Ethyl 5-chloro-2-iodobenzoate

Basic Information

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CAS Number

1012882-90-4

Molecular Formula

C9H8ClIO2

Molecular Weight

310.52 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

SMILES

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CCOC(=O)c1cc(Cl)ccc1I

InChI

InChI=1S/C9H8ClIO2/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2H2,1H3

InChIKey

OWPXIJQRVCSSDJ-UHFFFAOYSA-N

LogP

3.1213000000000015

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

187

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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 5-chloro-2-iodobenzoate
5-chloro-2-iodo-Benzoic acid ethyl ester
Benzoic acid, 5-chloro-2-iodo-, ethyl ester
OWPXIJQRVCSSDJ-UHFFFAOYSA-N
AK192770

MDL Number

MFCD18396098

FAQ

What is Ethyl 5-chloro-2-iodobenzoate (CAS: 1012882-90-4)?

Ethyl 5-chloro-2-iodobenzoate (CAS: 1012882-90-4) is an organic compound with a molecular formula of C10H9ClI2O2. It is a colorless to yellowish solid with a distinctive odor. This compound is insoluble in water but soluble in organic solvents. It is used in various applications, including pharmaceuticals, research, and analytical chemistry.

What are the main uses of Ethyl 5-chloro-2-iodobenzoate (CAS: 1012882-90-4)?

Ethyl 5-chloro-2-iodobenzoate (CAS: 1012882-90-4) is primarily used in the synthesis of pharmaceuticals and as a reagent in organic chemistry and analytical procedures. It is also utilized in the preparation of other organic compounds and in research for its unique chemical properties.

Is Ethyl 5-chloro-2-iodobenzoate (CAS: 1012882-90-4) safe?

Ethyl 5-chloro-2-iodobenzoate (CAS: 1012882-90-4) is generally safe when handled with proper precautions. However, it is important to use appropriate protective equipment such as gloves, goggles, and a lab coat. It should be stored in a dry, well-ventilated area and away from sources of heat and light.

How should Ethyl 5-chloro-2-iodobenzoate (CAS: 1012882-90-4) be stored?

Ethyl 5-chloro-2-iodobenzoate (CAS: 1012882-90-4) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption. It is recommended to store it in a fume hood or well-ventilated area to minimize inhalation risks.