Methyl 5-chloro-2-iodobenzoate

Basic Information

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CAS Number

289039-82-3

Molecular Formula

C8H6ClIO2

Molecular Weight

296.49 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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COC(=O)C1=C(C=CC(=C1)Cl)I

InChI

InChI=1S/C8H6ClIO2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3

InChIKey

LNCNRPALSKTJBG-UHFFFAOYSA-N

LogP

2.731200000000001

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

174

Synonyms & References

English

289039-82-3
methyl5-chloro-2-iodobenzoate
F14202
SCHEMBL6420613
METHYL 5-CHLORO-2-IODOBENZOATE
LNCNRPALSKTJBG-UHFFFAOYSA-N
DTXSID70634639
AM90256
MFCD00144772
AKOS026672091
A931873
5-Chloro-2-iodobenzoic acid methyl ester
EN300-3536561
Benzoic acid, 5-chloro-2-iodo-, methyl ester
SY270858
DS-10411
CS-0030377
Benzoic acid,5-chloro-2-iodo-, methyl ester
methyl 5-chloro-2-iodobenzoate
METHYL-5-CHLORO-2-IODOBENZOATE
5-Chloro-2-iodobenzoicacid methyl ester
QC-4528
AS02931
AK194044

MDL Number

MFCD00144772

FAQ

What is Methyl 5-chloro-2-iodobenzoate (CAS: 289039-82-3)?

Methyl 5-chloro-2-iodobenzoate (CAS: 289039-82-3) is an organic compound with the molecular formula C8H7ClI2O2. It is a solid at room temperature with a characteristic odor and has a melting point of 129-131°C. This compound is used in organic synthesis as a precursor for various chemical reactions.

What are the main uses of Methyl 5-chloro-2-iodobenzoate (CAS: 289039-82-3)?

Methyl 5-chloro-2-iodobenzoate (CAS: 289039-82-3) is primarily used in organic synthesis as a reagent for preparing other compounds. It is also utilized in the pharmaceutical industry for intermediate production and in the synthesis of certain drugs.

Is Methyl 5-chloro-2-iodobenzoate (CAS: 289039-82-3) safe?

Methyl 5-chloro-2-iodobenzoate (CAS: 289039-82-3) is generally considered safe for use in controlled laboratory settings, but it requires proper handling due to its chemical nature. Users should follow standard safety protocols, including wearing personal protective equipment (PPE) and ensuring adequate ventilation. Storage and disposal should also be conducted in accordance with regulatory guidelines.

How should Methyl 5-chloro-2-iodobenzoate (CAS: 289039-82-3) be stored?

Methyl 5-chloro-2-iodobenzoate (CAS: 289039-82-3) 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 and light exposure. The storage area should be well-ventilated and accessible only to authorized personnel. Avoid contact with incompatible materials such as strong acids, bases, and reducing agents.