Methyl 3-bromo-4-iodobenzoate

Basic Information

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CAS Number

249647-24-3

Molecular Formula

C8H6BrIO2

Molecular Weight

340.94 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

56-60 °C

Boiling Point

328.1℃ at 760 mmHg

Refractive Index

1.626

SMILES

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

InChI

InChI=1S/C8H6BrIO2/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4H,1H3

InChIKey

OIMBMPVAESWCEA-UHFFFAOYSA-N

LogP

2.840300000000001

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

174

Synonyms & References

English

249647-24-3
AM803579
AKOS005215968
MFCD07778512
Methyl 3-bromo-4-iodobenzoate;Benzoic acid, 3-bromo-4-iodo-, methyl ester
methyl 3-bromo-4-iodobenzoate
DTXSID60590174
CS-W014281
FT-0714378
Benzoic acid, 3-bromo-4-iodo-, methyl ester
OIMBMPVAESWCEA-UHFFFAOYSA-N
DS-15897
J-015751
BCP20954
Methyl 3-bromo-4-iodobenzoate, 97%
3-Bromo-4-iodo-benzoic acid methyl ester
A23084
3-Bromo-4-iodobenzoic acid methyl ester
Methyl3-bromo-4-iodobenzoate
SCHEMBL544486
SY029061
EN300-1241727
Methyl 3-bromo-4-iodobenzoate
3-BROMO-4-IODOBENZOIC ACID METHYL ESTER
Benzoic acid,3-bromo-4-iodo-, methyl ester
1936AB
CM12516
TRA0045321
LS11500
AS03634
BC658830

MDL Number

MFCD07778512

FAQ

What regulatory guidelines apply to Methyl 3-bromo-4-iodobenzoate (CAS: 249647-24-3)?

Methyl 3-bromo-4-iodobenzoate (CAS: 249647-24-3) falls under the scope of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), requiring specific hazard communication elements such as safety data sheets (SDS) and proper labelling. It is also subject to the European Union’s Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) regulation, which mandates detailed chemical safety assessments for production and import. Additionally, the U.S. Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) have specific requirements for the handling, storage, and use of this compound, including proper disposal methods to prevent environmental contamination.

Are there alternatives to Methyl 3-bromo-4-iodobenzoate (CAS: 249647-24-3) in synthesis?

While Methyl 3-bromo-4-iodobenzoate (CAS: 249647-24-3) is a specific reagent, there are alternative compounds that can serve similar functions in synthesis, such as methyl 3-bromo-4-nitrobenzoate or methyl 3-iodo-4-bromobenzoate. These alternatives can be explored based on the desired functional groups and the specific needs of the synthetic pathway. It is important to consider the reactivity, solubility, and cost when selecting an alternative reagent.

What is the market or research trend for Methyl 3-bromo-4-iodobenzoate (CAS: 249647-24-3)?

The market for Methyl 3-bromo-4-iodobenzoate (CAS: 249647-24-3) is driven by its use in the synthesis of various pharmaceuticals and materials. Research trends indicate increasing interest in developing more efficient and environmentally friendly synthesis methods. There is also a growing focus on understanding the environmental impact of such compounds and exploring safer alternatives. The trend is towards more sustainable and green chemistry approaches, which could influence the demand and development of this compound.

How should waste containing Methyl 3-bromo-4-iodobenzoate (CAS: 249647-24-3) be handled?

Waste containing Methyl 3-bromo-4-iodobenzoate (CAS: 249647-24-3) should be collected in appropriate containers and stored in a secure, well-ventilated area away from ignition sources. Properly incinerate or dispose of the waste through a professional hazardous waste disposal service to ensure that it is handled in an environmentally responsible manner. Follow local regulations and guidelines for hazardous waste management to prevent environmental contamination and ensure safety for all involved.