Methyl 5-bromothiophene-3-carboxylate

Basic Information

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CAS Number

88770-19-8

Molecular Formula

C6H5BrO2S

Molecular Weight

221.08 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

43-44 ºC

Boiling Point

244.6±20.0 ºC (760 Torr),

Density

1.662±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

101.7±21.8 ºC,

SMILES

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COC(=O)C1=CSC(=C1)Br

InChI

InChI=1S/C6H5BrO2S/c1-9-6(8)4-2-5(7)10-3-4/h2-3H,1H3

InChIKey

VFWZOBQPAHYSDL-UHFFFAOYSA-N

LogP

2.2972

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

140

Synonyms & References

English

Methyl 5-bromothiophene-3-carboxylate
Methyl 2-bromothiophene-4-carboxylate
5-bromothiophene-3-carboxylic acid methyl ester
methyl 5-bromo-3-thiophenecarboxylate
3-Thiophenecarboxylic acid, 5-bromo-, methyl ester
VFWZOBQPAHYSDL-UHFFFAOYSA-N
methyl5-bromothiophene-3-carboxylate
AS06561
PB21329
CM10537
AK138265
ST2407278
5-bromo-thiophene-3-carboxylic acid methyl ester
methyl 5-bromothiophene-3-carboxylate
2-Bromo-4-(carbomethoxy)thiophene
5-Bromothiophene-3-carboxylic acid methyl ester
Methyl 5-bromo-3-thiophenecarboxylate
DS-5977
P11679
DTXSID80672603
CS-W006344
AKOS016025366
METHYL 2-BROMOTHIOPHENE-4-CARBOXYLATE
AB01006297-01
SY114933
DA-01495
EN300-115550
88770-19-8
SCHEMBL365156
MFCD13386488

MDL Number

MFCD13386488

Customs Code

2934999090

FAQ

What regulatory guidelines apply to Methyl 5-bromothiophene-3-carboxylate (CAS: 88770-19-8)?

Methyl 5-bromothiophene-3-carboxylate (CAS: 88770-19-8) is subject to regulatory guidelines such as the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), which covers safety data sheets, hazard communication, and physical and health hazards. Additionally, it falls under the European Union's REACH regulations, which require registration of substances above a certain tonnage. In the US, the Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) may have specific requirements for the handling and use of this compound.

Are there alternatives to Methyl 5-bromothiophene-3-carboxylate (CAS: 88770-19-8) in synthesis?

While Methyl 5-bromothiophene-3-carboxylate (CAS: 88770-19-8) is a specific compound, alternatives in synthesis might include related thiophene derivatives or other substituted carboxylic acids. Common alternatives include Methyl 5-bromo-2-thiophenecarboxylate or other brominated thiophene derivatives, which can serve similar functional groups in different chemical reactions. Care should be taken to select appropriate substitutes based on the specific requirements of the synthesis.

What is the market or research trend for Methyl 5-bromothiophene-3-carboxylate (CAS: 88770-19-8)?

The market and research trends for Methyl 5-bromothiophene-3-carboxylate (CAS: 88770-19-8) are closely linked to its applications in pharmaceuticals, materials science, and analytical chemistry. Increasing research into new drug discovery and polymer synthesis is driving demand. Additionally, there is a growing interest in sustainable and eco-friendly chemical processes, which may influence the development and use of this compound in the future.

How should waste containing Methyl 5-bromothiophene-3-carboxylate (CAS: 88770-19-8) be handled?

Waste containing Methyl 5-bromothiophene-3-carboxylate (CAS: 88770-19-8) should be handled by first ensuring proper collection in dedicated containers to prevent contamination. Incineration or professional waste disposal services are recommended, especially if the waste is hazardous. Environmental protection precautions include ensuring that disposal methods comply with local regulations and that all disposal activities are documented. It is advisable to consult with environmental health and safety professionals for specific guidance and protocols.