5-(Methoxycarbonyl)-2-thiophenecarboxylic acid

Basic Information

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CAS Number

50340-79-9

Molecular Formula

C7H6O4S

Molecular Weight

186.19 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

Basic Physical Properties

Melting Point

187-190℃

SMILES

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COC(=O)C1=CC=C(S1)C(=O)O

InChI

InChI=1S/C7H6O4S/c1-11-7(10)5-3-2-4(12-5)6(8)9/h2-3H,1H3,(H,8,9)

InChIKey

HYHZGBOWRWIEGW-UHFFFAOYSA-N

LogP

1.2328999999999999

Topological Polar Surface Area

63.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

204

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

5-(Methoxycarbonyl)thiophene-2-carboxylicacid
50340-79-9
A828076
SR-01000519266-1
FT-0753348
HMS1671L22
CS-W005917
5-methoxycarbonyl-2-thiophenecarboxylic acid
thiophene-2,5-dicarboxylic acidmonomethyl ester
MFCD01203161
I10709
SR-01000519266
J-524959
38321-95-8
AMY40756
Thiophene-2,5-dicarboxylic acid monomethyl ester
AC-28060
SY021571
5-methoxycarbonylthiophene-2-carboxylic acid
5-methoxycarbonylthiophene-2-carboxylic acid;5-(Methoxycarbonyl)thiophene-2-carboxylic acid
Z57191476
DTXSID20355948
5-(methoxycarbonyl)-2-thiophenecarboxylic acid
5-(methoxycarbonyl)thiophene-2-carboxylic acid
SCHEMBL1303016
EN300-27814
HYHZGBOWRWIEGW-UHFFFAOYSA-N
AKOS000641385
AG-205/37066188
FT-0645322
BS-13627

MDL Number

MFCD01203161

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 5-(Methoxycarbonyl)-2-thiophenecarboxylic acid (CAS: 50340-79-9)?

5-(Methoxycarbonyl)-2-thiophenecarboxylic acid is a crystalline solid with a molecular weight of approximately 194.23 g/mol. It has a solubility of 2 g/L in water and is sparingly soluble in organic solvents. The compound is moderately reactive, showing limited reactivity with bases and nucleophiles. It does not react with acids and is stable under normal storage conditions.

How is 5-(Methoxycarbonyl)-2-thiophenecarboxylic acid (CAS: 50340-79-9) typically synthesized?

5-(Methoxycarbonyl)-2-thiophenecarboxylic acid can be synthesized via the condensation of 2-thiophenecarboxylic acid with methanol in the presence of a catalytic amount of a dehydrating agent like phosphorous oxychloride. The reaction is typically carried out under anhydrous conditions to ensure high yields and selectivity.

What industries use 5-(Methoxycarbonyl)-2-thiophenecarboxylic acid (CAS: 50340-79-9)?

5-(Methoxycarbonyl)-2-thiophenecarboxylic acid finds applications in the pharmaceutical industry for the synthesis of certain drugs, as well as in the polymer industry for the development of functional polymers. It is also used in the production of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 5-(Methoxycarbonyl)-2-thiophenecarboxylic acid (CAS: 50340-79-9)?

When handling 5-(Methoxycarbonyl)-2-thiophenecarboxylic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. Store the compound away from heat and light in a cool, dry place. In case of a spill, use a fume hood and follow proper disposal procedures as indicated in the Safety Data Sheet (SDS).