Methyl 3-hydroxy-4-iodobenzoate

Basic Information

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CAS Number

157942-12-6

Molecular Formula

C8H7IO3

Molecular Weight

278.04 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

Melting Point

53-54°

Water Solubility

Slightly soluble in water.

SMILES

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

InChI

InChI=1S/C8H7IO3/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,10H,1H3

InChIKey

LXCQVWRESZDFGW-UHFFFAOYSA-N

LogP

1.7834

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

172

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

Hazard Class

Class IRRITANT Class IRRITANT

Sensitiveness

Light Sensitive

Synonyms & References

English

FE-0770
Methyl-3-hydroxy-4-iodobenzoate
3-Hydroxy-4-iodobenzoic acid methyl ester
FT-0655523
Z1269171510
Methyl 3-hydroxy-4-iodo-benzoate
AC-25708
Methyl 4-iodo-3-hydroxy benzoate
37K792YP65
DTXSID10439009
methyl 3-hydroxy4-iodobenzoate
methyl 3-hydroxy-4-iodo-benzoate;Methyl 3-hydroxy-4-iodobenzoate
Methyl 3-hydroxy-4-iodobenzenecarboxylate
AKOS005073538
SY110541
MFCD06203960
4-Iodo-3-hydroxy-benzoic acid methyl ester
BENZOIC ACID,3-HYDROXY-4-IODO-, METHYL ESTER
SCHEMBL976862
EN300-157238
methyl 3-hydroxy-4-iodobenzoate
A809886
157942-12-6
3-hydroxy-4-iodo-benzoic acid methyl ester
AMY10147
Methyl 4-iodo-3-hydroxybenzoate
CS-W018915
LXCQVWRESZDFGW-UHFFFAOYSA-N
Methyl-4-iodo-3-hydroxy benzoate
C8H7IO3
Benzoic acid, 3-hydroxy-4-iodo-, methyl ester

MDL Number

MFCD06203960

Customs Code

2918290000

FAQ

What are the physical and chemical properties of Methyl 3-hydroxy-4-iodobenzoate (CAS: 157942-12-6)?

Methyl 3-hydroxy-4-iodobenzoate (CAS: 157942-12-6) is a white crystalline solid with a molecular weight of approximately 287.03 g/mol. It has a low solubility in water but is more soluble in polar organic solvents like methanol and ethanol. This compound is reactive towards nucleophiles and electrophiles, making it suitable for various synthetic transformations. It crystallizes in the monoclinic system and is stable under normal laboratory conditions.

How is Methyl 3-hydroxy-4-iodobenzoate (CAS: 157942-12-6) typically synthesized?

Methyl 3-hydroxy-4-iodobenzoate (CAS: 157942-12-6) is synthesized through the iodination of methyl 3-hydroxybenzoate under the use of iodine and a suitable base such as potassium carbonate. The reaction is typically conducted in a polar aprotic solvent like dimethylformamide (DMF) at room temperature. The product is isolated by recrystallization from a mixture of ethanol and water, yielding a high purity crystalline solid with a yield of around 85-90%.

What industries use Methyl 3-hydroxy-4-iodobenzoate (CAS: 157942-12-6)?

Methyl 3-hydroxy-4-iodobenzoate (CAS: 157942-12-6) is primarily used in the pharmaceutical industry for the synthesis of intermediates in drug development. It also has applications in the polymer industry as a monomer for the production of functionalized polymers. Additionally, it is used in the chemical sensor industry due to its unique reactivity towards certain analytes.

What precautions should be taken when handling Methyl 3-hydroxy-4-iodobenzoate (CAS: 157942-12-6)?

When handling Methyl 3-hydroxy-4-iodobenzoate (CAS: 157942-12-6), it is crucial to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. The compound must be handled in a well-ventilated fume hood to minimize inhalation risks. Spills should be cleaned up immediately with the use of appropriate absorbent materials. In case of skin contact, wash with copious amounts of water. For more detailed safety information, refer to the safety data sheet (SDS) for this compound.