Methyl 3-chloro-2-thiophenecarboxylate

Basic Information

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CAS Number

88105-17-3

Molecular Formula

C6H5ClO2S

Molecular Weight

176.62 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

37-38°C

Boiling Point

72-74°C 0,2mm

Density

1.28

Flash Point

72-74°C/0.2mm

Refractive Index

1.49

SMILES

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COC(=O)c1sccc1Cl

InChI

InChI=1S/C6H5ClO2S/c1-9-6(8)5-4(7)2-3-10-5/h2-3H,1H3

InChIKey

ZWKYYONTMGVPSP-UHFFFAOYSA-N

LogP

2.1881000000000004

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

140

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 3-chlorothiophene-2-carboxylate
2-Thiophenecarboxylic acid, 3-chloro-, methyl ester
methyl 3-chloro-2-thiophenecarboxylate
3-CHLOROTHIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
Methyl3-chlorothiophene-2-carboxylate
PubChem9775
Maybridge1_003830
KSC495C2P
HMS552G02
ZWKYYONTMGVPSP-UHFFFAOYSA-N
SBB053879
Methyl-3-chlorothiophene-2-carboxylate
MCULE
methyl 3-chlorothiophene-2-carboxylate
3-Chlorothiophene-2-carboxylic acid methyl ester
Methyl 3-chloro-2-thiophenecarboxylate

MDL Number

MFCD00068135

Customs Code

2934999090

FAQ

What are the physical and chemical properties of Methyl 3-chloro-2-thiophenecarboxylate (CAS: 88105-17-3)?

Methyl 3-chloro-2-thiophenecarboxylate (CAS: 88105-17-3) is a crystalline solid with a molecular weight of approximately 204.61 g/mol. It is slightly soluble in water and more soluble in organic solvents like ethanol and dichloromethane. This compound is reactive, especially towards nucleophiles, and is susceptible to hydrolysis. It has a melting point of around 78-80°C.

How is Methyl 3-chloro-2-thiophenecarboxylate (CAS: 88105-17-3) typically synthesized?

Methyl 3-chloro-2-thiophenecarboxylate (CAS: 88105-17-3) can be synthesized by the condensation of 3-chloro-2-thiophenecarboxylic acid with methyl alcohol in the presence of a catalytic amount of phosphorous acid. This method provides good selectivity and yield, with mild conditions required for the reaction.

What industries use Methyl 3-chloro-2-thiophenecarboxylate (CAS: 88105-17-3)?

Methyl 3-chloro-2-thiophenecarboxylate (CAS: 88105-17-3) is utilized in the pharmaceutical industry for the synthesis of certain drugs and intermediates. It is also used in the polymer industry for the production of advanced polymers with specific properties. Furthermore, it has applications in the sensor and semiconductor industries for the development of specialized materials.

What precautions should be taken when handling Methyl 3-chloro-2-thiophenecarboxylate (CAS: 88105-17-3)?

When handling Methyl 3-chloro-2-thiophenecarboxylate (CAS: 88105-17-3), it is crucial to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure to the compound. Spills should be cleaned up using appropriate solvents and wearing proper protective gear. Always refer to the Safety Data Sheet (SDS) for comprehensive safety guidelines.