Methyl 2-chloro-5-iodobenzoate

Basic Information

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CAS Number

620621-48-9

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

Boiling Point

315°C at 760 mmHg

Density

1.837±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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O=C(OC)C1=CC(I)=CC=C1Cl

InChI

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

InChIKey

DLSYOOCTSGXXCP-UHFFFAOYSA-N

LogP

2.731200000000001

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

174

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

Synonyms & References

English

Methyl 2-chloro-5-iodobenzoate
2-CHLORO-5-IODOBENZOIC ACID METHYL ESTER
Benzoic acid, 2-chloro-5-iodo-, methyl ester
Methyl-2-chloro-5-iodobenzoate
2-Chloro-5-iodo-benzoic acid methyl ester
DLSYOOCTSGXXCP-UHFFFAOYSA-N
TD1213
WT2231
EBD754907
methyl 2-chloranyl-5-iodanyl-benzoate
AS02928
3-carboxymethyl-4-chloro-1-iodobenzene
3-carboxymethyl-4-chloro-1

MDL Number

MFCD07779253

Customs Code

2916399090

FAQ

What regulatory guidelines apply to Methyl 2-chloro-5-iodobenzoate (CAS: 620621-48-9)?

Methyl 2-chloro-5-iodobenzoate (CAS: 620621-48-9) falls under various regulatory guidelines depending on its use. In the European Union, it is subject to the REACH regulation for chemical safety assessment. Additionally, it must comply with the GHS for hazard communication, including classification and labeling. In the United States, it is regulated by the FDA for pharmaceutical applications and by the EPA for environmental protection. Adequate risk assessments and safety data sheets (SDS) are essential for compliance.

Are there alternatives to Methyl 2-chloro-5-iodobenzoate (CAS: 620621-48-9) in synthesis?

Alternative reagents to Methyl 2-chloro-5-iodobenzoate (CAS: 620621-48-9) include similar chloro-iodo-benzoic acid derivatives. For instance, methyl 2-bromo-5-iodobenzoate can be used as a bromine substitute. Other alternatives involve using different functional groups such as methyl 2-chloro-5-nitrobenzoate or methyl 2-chloro-5-aminobenzoate, depending on the desired chemical transformations and reaction conditions.

What is the market or research trend for Methyl 2-chloro-5-iodobenzoate (CAS: 620621-48-9)?

Methyl 2-chloro-5-iodobenzoate (CAS: 620621-48-9) is experiencing growing interest in pharmaceutical and chemical research due to its unique chemical structure and potential applications in drug synthesis. Market trends indicate increasing demand for custom organic synthesis services that incorporate this compound. Research is also exploring its use in developing novel pharmaceutical agents and as a precursor for other complex organic molecules.

How should waste containing Methyl 2-chloro-5-iodobenzoate (CAS: 620621-48-9) be handled?

Waste containing Methyl 2-chloro-5-iodobenzoate (CAS: 620621-48-9) should be collected in appropriate, labeled containers and handled according to disposal regulations. Incineration is a common method for disposal, but professional waste disposal services are recommended to ensure environmental safety. Proper precautions include minimizing exposure and ensuring adequate ventilation. Environmental protection measures should be implemented to prevent contamination of soil and water.