5-Acetyl-2-thiophenecarbonitrile

Basic Information

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CAS Number

88653-55-8

Molecular Formula

C7H5NOS

Molecular Weight

151.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Nitriles

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

77 °C

Boiling Point

95 °C

Flash Point

95-97°C/0.5mm

SMILES

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CC(=O)C1=CC=C(S1)C#N

InChI

InChI=1S/C7H5NOS/c1-5(9)7-3-2-6(4-8)10-7/h2-3H,1H3

InChIKey

VSHPLUBHIUFLES-UHFFFAOYSA-N

LogP

1.82238

Complexity

193

Safety Information

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Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

CHEMBL1650234
Z1201618266
5-acetyl-2-thiophenecarbonitrile
Maybridge1_000101
A5266
FT-0619942
88653-55-8
2-ACETYL-5-CYANOTHIOPHENE
5-cyano-2-acetylthiophene
FS-1460
2-cyano-5-acetyl-thiophene
2-Acetyl-5-cyanotiophene
O7L
DTXSID50372663
MFCD00052314
5-ethanoylthiophene-2-carbonitrile
MixCom1_000189
5-acetylthiophene-2-carbonitrile
A842826
5-Acetyl-2-thiophenecarbonitrile, AldrichCPR
AKOS006227972
EN300-103395
5-acetyl-thiophene-2-carbonitrile
SCHEMBL352339
2-Acetyl-5-cyanothiophene
5-Acetylthiophene-2-carbonitrile
2-cyano-5-acetylthiophene
5-acetyl-2-thienylcyanide

MDL Number

MFCD00052314

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 5-Acetyl-2-thiophenecarbonitrile (CAS: 88653-55-8)?

5-Acetyl-2-thiophenecarbonitrile is a solid with a crystalline form, has a molecular weight of approximately 173.23 g/mol, and is slightly soluble in common organic solvents. It is mildly reactive towards nucleophiles and electrophiles, and shows limited reactivity towards bases and acids. Its properties include a melting point of 115-116°C.

How is 5-Acetyl-2-thiophenecarbonitrile (CAS: 88653-55-8) typically synthesized?

5-Acetyl-2-thiophenecarbonitrile can be synthesized by a one-pot reaction of thiophene and acetyl chloride in the presence of a catalyst such as concentrated sulfuric acid. The yield is typically around 85-90%, with selectivity towards the desired product being high.

What industries use 5-Acetyl-2-thiophenecarbonitrile (CAS: 88653-55-8)?

5-Acetyl-2-thiophenecarbonitrile is used in the pharmaceutical industry for the synthesis of certain drugs, and also in the polymer industry for the production of specific types of plastics and resins. It may also be used in the manufacture of sensors and semiconductors.

What precautions should be taken when handling 5-Acetyl-2-thiophenecarbonitrile (CAS: 88653-55-8)?

When handling 5-Acetyl-2-thiophenecarbonitrile, it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up with appropriate absorbent materials. Refer to the Safety Data Sheet (SDS) for detailed safety information.