3-Thienylacetic acid

Basic Information

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CAS Number

6964-21-2

Molecular Formula

C6H6O2S

Molecular Weight

142.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

73-76 °C

Boiling Point

274.3℃ at 760 mmHg

Density

1.365 (estimate)

Water Solubility

Very soluble in water.

Flash Point

129℃/2.5mm

Refractive Index

1.5300 (estimate)

Vapor Pressure

0.0±0.6 mmHg at 25°C

SMILES

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C1=CSC=C1CC(=O)O

InChI

InChI=1S/C6H6O2S/c7-6(8)3-5-1-2-9-4-5/h1-2,4H,3H2,(H,7,8)

InChIKey

RCNOGGGBSSVMAS-UHFFFAOYSA-N

LogP

1.3752000000000002

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

114

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 8 Class 8

Sensitiveness

Sensitive to air

Synonyms & References

English

InChI=1/C6H6O2S/c7-6(8)3-5-1-2-9-4-5/h1-2,4H,3H2,(H,7,8)
2-(thiophen-3-yl)-acetic acid
3-Thiopheneethanoic acid
SCHEMBL351615
NSC-66315
PS-5327
BRN 0113622
3-thiophene acetic acid
Q4634193
4-18-00-04066 (Beilstein Handbook Reference)
Thiophen-3-yl-acetic acid
2-(thiophene-3-yl)acetic acid
AM20100656
thiophen-3-ylacetic acid
BIDD:GT0719
3-Thiopheneacetic acid, 98%
HY-W001140
2-thiophen-3-ylacetic acid
AI-942/25034212
Z56922167
EN300-17372
3-Thienylacetic acid
thien-3-ylacetic acid
NSC66315
Ticarcillin impurity B
THIOPHENE-3-ACETIC ACID
PB28939
FT-0601171
NSC 66315
TICARCILLIN SODIUM IMPURITY B [EP IMPURITY]
F2191-0124

MDL Number

MFCD00005473

Customs Code

29349990

FAQ

What are the physical and chemical properties of 3-Thienylacetic acid (CAS: 6964-21-2)?

3-Thienylacetic acid (CAS: 6964-21-2) is a crystalline solid at room temperature with a molecular weight of 152.14 g/mol. It is slightly soluble in water and more soluble in organic solvents like ethanol and acetone. Chemically, it is acidic and can react with bases to form salts. It is also reactive towards nucleophiles and can undergo esterification and condensation reactions.

How is 3-Thienylacetic acid (CAS: 6964-21-2) typically synthesized?

3-Thienylacetic acid can be synthesized via the condensation of 2-thienylacetonitrile with sodium hydroxide or by the reaction of thienylacetic anhydride with a suitable base. Common catalysts include sodium hydroxide and potassium hydroxide. The yield is typically around 75-85%, and high selectivity is achieved under mild conditions.

What industries use 3-Thienylacetic acid (CAS: 6964-21-2)?

3-Thienylacetic acid (CAS: 6964-21-2) is used in the pharmaceutical industry for the synthesis of certain drugs, as a precursor in polymer chemistry for developing functional materials, and in the manufacturing of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 3-Thienylacetic acid (CAS: 6964-21-2)?

When handling 3-Thienylacetic acid (CAS: 6964-21-2), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Store it in a cool, well-ventilated area away from sources of ignition. In case of a spill, use appropriate spill cleanup equipment and consult the Safety Data Sheet (SDS) for specific handling instructions.