Methyl 5-bromo-1-benzothiophene-2-carboxylate

Basic Information

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CAS Number

7312-11-0

Molecular Formula

C10H7BrO2S

Molecular Weight

271.14 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

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

110 °C

SMILES

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COC(=O)C1=CC2=C(S1)C=CC(=C2)Br

InChI

InChI=1S/C10H7BrO2S/c1-13-10(12)9-5-6-4-7(11)2-3-8(6)14-9/h2-5H,1H3

InChIKey

XDYVZHUZZZKQOS-UHFFFAOYSA-N

LogP

3.450400000000001

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

234

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

methyl 5-bromo-benzo[b]thiophene-2-carboxylate
5-bromobenzothiophene-2-carboxylic acid methyl ester
Z1269233055
BP-20476
MFCD05662034
methyl 5-bromobenzo[b]thiophene-2-carboxylate
PB18671
EN300-7422931
FT-0636430
AMY15385
Maybridge4_002488
SCHEMBL256555
CS-0053872
5-Bromo-benzo[b]thiophene-2-carboxylic methyl ester
5-Bromo-benzo[b]thiophene-2-carboxylic acid methyl ester
7X-0709
methyl 5-bromobenzo[b]thiophen-2-carboxylate
J-522464
DTXSID00384973
methyl 5-bromo-1-benzothiophene-2-carboxylate
HMS1528B02
5-BROMO-BENZOTHIOPHENE-2-CARBOXYLIC ACID
IDI1_032366
XDYVZHUZZZKQOS-UHFFFAOYSA-N
FD7324
Methyl 5-Bromo-1-Benzothiophene-2Carboxylate
7312-11-0
AKOS005071196
METHYL 5-BROMOBENZOTHIOPHENE-2-CARBOXYLATE
SY229385
CCG-249609

MDL Number

MFCD05662034

Customs Code

2934999090

FAQ

What regulatory guidelines apply to Methyl 5-bromo-1-benzothiophene-2-carboxylate (CAS: 7312-11-0)?

Methyl 5-bromo-1-benzothiophene-2-carboxylate (CAS: 7312-11-0) is classified under GHS as a dangerous substance due to its potential for skin and eye irritation. It is regulated under REACH in the European Union, which requires manufacturers and importers to register substances with the European Chemicals Agency. In the USA, it falls under the jurisdiction of OSHA for workplace safety and the EPA for environmental protection. FDA regulations might apply if it were used in pharmaceuticals or food additives.

Are there alternatives to Methyl 5-bromo-1-benzothiophene-2-carboxylate (CAS: 7312-11-0) in synthesis?

Alternative reagents such as methyl 5-chloro-1-benzothiophene-2-carboxylate or methyl 5-iodo-1-benzothiophene-2-carboxylate can be used as substitutes depending on the desired product and reactivity. These compounds are often chosen based on the availability, cost, and ease of synthesis.

What is the market or research trend for Methyl 5-bromo-1-benzothiophene-2-carboxylate (CAS: 7312-11-0)?

The market for Methyl 5-bromo-1-benzothiophene-2-carboxylate (CAS: 7312-11-0) is primarily driven by its use in organic synthesis, particularly in the development of pharmaceuticals and materials science. Research trends are focusing on its potential as a precursor for synthesizing various functional materials and its role in drug discovery processes. Market demand is expected to grow with advancements in these fields.

How should waste containing Methyl 5-bromo-1-benzothiophene-2-carboxylate (CAS: 7312-11-0) be handled?

Waste containing Methyl 5-bromo-1-benzothiophene-2-carboxylate (CAS: 7312-11-0) should be collected in appropriate containers and stored in a well-ventilated area away from ignition sources. It should be disposed of through incineration under controlled conditions or by a professional hazardous waste disposal service. Environmental precautions include proper containment to prevent soil or water contamination, and adherence to local, national, and international waste management regulations.