Methyl 6-bromo-1-benzothiophene-2-carboxylate

Basic Information

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CAS Number

360576-01-8

Molecular Formula

C10H7BrO2S

Molecular Weight

271.14 g/mol

Basic Physical Properties

Melting Point

117-119°

Boiling Point

358.9°C at 760 mmHg

SMILES

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

InChI

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

InChIKey

SFDVDNLBYGHFNF-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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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

6-bromobenzothiophene-2-carboxylic acid methyl ester
Methyl 6-bromo-1-benzothiophene-2-carboxylate
AKOS005073408
SY104145
6-bromo-benzo[b]thiophene-2-carboxylic acid methyl ester, AldrichCPR
AMY5738
6-Bromo-benzo[b]thiophene-2-carboxylic acid methyl ester
DTXSID50625904
Methyl 6-bromobenzo[b]thiophene-2-carboxylate
CS1251
FT-0663648
360576-01-8
J-522538
MFCD07371541
methyl 6-bromobenzothiophene-2-carboxylate
SCHEMBL497904
SB36821
CS-0041254
6-BROMO-BENZO[B]THIOPHENE-2-CARBOXY LIC ACID METHYL ESTER
SFDVDNLBYGHFNF-UHFFFAOYSA-N
Methyl6-bromo-1-benzothiophene-2-carboxylate
LA-0701
BP-20473
AC-31801
methyl6-bromobenzo[b]thiophene-2-carboxylate
6-Bromobenzothiophene-2-carboxylic Acid Methyl Ester
Benzo[b]thiophene-2-carboxylicacid, 6-bromo-, methyl ester
methyl 6-bromo-1-benzothiophene-2-carboxylate

MDL Number

MFCD07371541

Customs Code

2934999090

FAQ

What regulatory guidelines apply to Methyl 6-bromo-1-benzothiophene-2-carboxylate (CAS: 360576-01-8)?

Methyl 6-bromo-1-benzothiophene-2-carboxylate (CAS: 360576-01-8) falls under the scope of GHS classification, which categorizes it as a hazardous chemical based on its reactivity and potential health effects. It is subject to REACH regulations in the EU, requiring manufacturers and importers to register the substance if it is produced or imported in quantities exceeding 1 ton per year. Additionally, FDA and EPA may have specific requirements for its use in pharmaceutical and industrial applications, respectively. Compliance with these regulations ensures safe handling and disposal.

Are there alternatives to Methyl 6-bromo-1-benzothiophene-2-carboxylate in synthesis?

There are alternative reagents that can be used in the synthesis of Methyl 6-bromo-1-benzothiophene-2-carboxylate, such as methyl 6-iodo-1-benzothiophene-2-carboxylate or methyl 6-chloro-1-benzothiophene-2-carboxylate. These compounds can serve as precursors in similar reactions, offering chemists flexibility in their synthetic approaches. However, the choice of alternative depends on the specific requirements of the reaction, such as the desired product, reactivity, and cost.

What is the market or research trend for Methyl 6-bromo-1-benzothiophene-2-carboxylate (CAS: 360576-01-8)?

The market and research trends for Methyl 6-bromo-1-benzothiophene-2-carboxylate (CAS: 360576-01-8) are largely driven by its use in the pharmaceutical and materials science industries. Recent research has explored its potential as a precursor in the synthesis of functional materials and as an intermediate in drug development. Market trends indicate increasing demand for high-purity products, and ongoing research is focusing on optimizing synthetic routes and environmental impact.

How should waste containing Methyl 6-bromo-1-benzothiophene-2-carboxylate (CAS: 360576-01-8) be handled?

Waste containing Methyl 6-bromo-1-benzothiophene-2-carboxylate (CAS: 360576-01-8) should be collected and disposed of according to the waste management guidelines specified in the country or region. This typically involves neutralizing the waste to reduce its acidity or alkalinity, followed by incineration or professional waste disposal services. Environmental protection measures include proper containment to prevent leakage and ensuring that waste is handled by trained personnel to minimize exposure and environmental impact.