3-Iodo-4-methoxybenzoic acid

Basic Information

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CAS Number

68507-19-7

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 Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

243°C

Boiling Point

359.9℃/760mmHg

Density

1.878

Flash Point

359.9 °C at 760 mmHg

Refractive Index

1.631

SMILES

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

InChI

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

InChIKey

HNJSYSWRPCCSQI-UHFFFAOYSA-N

LogP

1.998

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

H412 Harmful to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class IRRITANT Class IRRITANT

Sensitiveness

Light Sensitive

Synonyms & References

English

I0959
EN300-107772
3-Iodo-4-methoxybenzoic acid
3-Iodo-4-methoxy-benzoic acid
SCHEMBL787550
Benzoic acid, 3-iodo-4-methoxy-
MFCD00017347
SY017725
AM20041009
FT-0641188
AKOS000319471
AC-22953
AN-329/40792233
AS-38673
68507-19-7
CS-0113079
3-IODO-P-ANISIC ACID
A915722
3-Iodo-4-methoxybenzoicacid
Z57200689
A20376
DTXSID90347638
3-Iodo-4-methoxybenzoic acid, 97%
3-iodo-4-methoxy-benzoic acid
3-iodo-p-anisic acid
3-Jod-4-methoxy-benzoesaeure
3-Jod-anissaeure
4-methoxy-3-iodobenzoic acid
Benzoic acid,3-iodo-4-methoxy
HNJSYSWRPCCSQI-UHFFFAOYSA-N
PubChem4973

MDL Number

MFCD00017347

Customs Code

2918990090

FAQ

What regulatory guidelines apply to 3-Iodo-4-methoxybenzoic acid (CAS: 68507-19-7)?

3-Iodo-4-methoxybenzoic acid (CAS: 68507-19-7) is subject to regulatory guidelines under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), which includes hazard communication requirements. It is also regulated under the REACH regulations in the European Union, which require manufacturers and importers to register substances with the European Chemicals Agency (ECHA) and comply with various safety and environmental standards. In the USA, the Food and Drug Administration (FDA) and the Environmental Protection Agency (EPA) may have additional requirements for handling and use of this compound.

Are there alternatives to 3-Iodo-4-methoxybenzoic acid (CAS: 68507-19-7) in synthesis?

While 3-Iodo-4-methoxybenzoic acid (CAS: 68507-19-7) is a specific compound, there are alternative reagents that can be used in its synthesis. For example, 3-Bromo-4-methoxybenzoic acid can be used as an iodine-containing analog, or 4-Methoxybenzoic acid can be iodinated directly. Researchers often explore these alternatives to optimize reaction conditions and ensure better product yield and purity.

What is the market or research trend for 3-Iodo-4-methoxybenzoic acid (CAS: 68507-19-7)?

The market for 3-Iodo-4-methoxybenzoic acid (CAS: 68507-19-7) is primarily driven by its applications in pharmaceuticals and agrochemicals. Recent research trends indicate a growing interest in its use as an intermediate in the synthesis of pharmaceuticals, particularly in the development of new antimicrobial agents. Additionally, there is increasing focus on the environmental and toxicological impact of such compounds, leading to more sustainable synthesis methods and safer disposal practices.

How should waste containing 3-Iodo-4-methoxybenzoic acid (CAS: 68507-19-7) be handled?

Waste containing 3-Iodo-4-methoxybenzoic acid (CAS: 68507-19-7) should be managed according to local and international regulations. It is advisable to collect the waste in appropriate containers and ensure proper labeling. Disposal should be conducted through a licensed hazardous waste facility. Incineration is a common method for disposing of such waste, but it must be done under controlled conditions to prevent the release of harmful pollutants. Additionally, neutralization and immobilization techniques can be used to minimize environmental risks before disposal.