Methyl 4-iodo-3-methoxybenzoate

Basic Information

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CAS Number

35387-92-9

Molecular Formula

C9H9IO3

Molecular Weight

292.07 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

SMILES

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COC1=C(C=CC(=C1)C(=O)OC)I

InChI

InChI=1S/C9H9IO3/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5H,1-2H3

InChIKey

GALFBPQYWHBOPA-UHFFFAOYSA-N

LogP

2.0864

Topological Polar Surface Area

35.53 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

184

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

BB 0257250
AKOS015852155
Ethanol,2-(2-benzothiazolylamino)-(7CI,8CI,9CI)
SCHEMBL1786161
EN300-7390624
METHYL-4-IODO-3-METHOXY BENZOATE
A6206
MFCD07367493
SY269635
DTXSID20459935
GALFBPQYWHBOPA-UHFFFAOYSA-N
CS-0045004
LD-0737
AB31122
methyl 4-iodo-3-(methyloxy)benzoate
35387-92-9
Methyl 4-iodo-3-methoxybenzoate
4-Iodo-3-methoxy-benzoic acid methyl ester
Benzoic acid, 4-iodo-3-methoxy-, methyl ester
FT-0682375
AMY27822
4-iodo-3-methoxyBenzoic acid methyl ester
Benzoic acid,4-iodo-3-methoxy-, methyl ester
Methyl-4-iodo-3-methoxy benzoate
methyl4-iodo-3-methoxybenzoate
4411AB
FCH1382809
OR400591
3-Methoxy-4-iodobenzoic acid methyl ester

MDL Number

MFCD07367493

Customs Code

2918990090

FAQ

What are the physical and chemical properties of Methyl 4-iodo-3-methoxybenzoate (CAS: 35387-92-9)?

Methyl 4-iodo-3-methoxybenzoate (CAS: 35387-92-9) is a crystalline compound with a molecular weight of approximately 326.02 g/mol. It has a low solubility in water but is more soluble in organic solvents. Chemically, it is highly reactive due to the presence of the iodine and methoxy groups, which can participate in various chemical reactions such as nucleophilic substitution and electrophilic aromatic substitution.

How is Methyl 4-iodo-3-methoxybenzoate (CAS: 35387-92-9) typically synthesized?

Methyl 4-iodo-3-methoxybenzoate can be synthesized through a series of steps, starting from methyl 3-methoxybenzoate. The key steps involve the introduction of the iodine atom, typically via a nucleophilic substitution reaction with iodine in the presence of a base. This reaction is sensitive to conditions and requires careful control of the temperature and reaction time to achieve high yield and selectivity.

What industries use Methyl 4-iodo-3-methoxybenzoate (CAS: 35387-92-9)?

Methyl 4-iodo-3-methoxybenzoate (CAS: 35387-92-9) is primarily used in the pharmaceutical and polymer industries. It serves as a precursor in the synthesis of pharmaceutical compounds and is also used in the development of advanced polymers with specific functional groups for various applications.

What precautions should be taken when handling Methyl 4-iodo-3-methoxybenzoate (CAS: 35387-92-9)?

When handling Methyl 4-iodo-3-methoxybenzoate (CAS: 35387-92-9), wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure the use of a fume hood during handling and disposal to minimize exposure. In case of a spill, immediately clean up using proper safety procedures and consult the Material Safety Data Sheet (MSDS) for detailed instructions.