2-Thiophenecarbonitrile

Basic Information

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CAS Number

1003-31-2

Molecular Formula

C5H3NS

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

192 °C

Water Solubility

Slightly miscible with water.

Refractive Index

n20/D 1.563(lit.)

SMILES

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C1=CSC(=C1)C#N

InChI

InChI=1S/C5H3NS/c6-4-5-2-1-3-7-5/h1-3H

InChIKey

CUPOOAWTRIURFT-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

102

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 6.1 Class 6.1

Sensitiveness

Sensitive to moisture.

Synonyms & References

English

2-thenonitrile
2-thiophenenitrile
CUPOOAWTRIURFT-UHFFFAOYSA-
1003-31-2
2-cyano-thiophene
BIDD:GT0001
W-108967
EINECS 213-706-0
CHEMBL2229531
PS-9266
Thiophene-2-carbonitrile
2-thiophencarbonitrile
EN300-17512
AM20070640
AKOS000121546
2-Cyanothiophene
Z56946090
HMS1788B13
thiopene-2-carbonitrile
A800100
Thiophenecarbonitrile
2-Thiophene carbonitrile
InChI=1/C5H3NS/c6-4-5-2-1-3-7-5/h1-3H
F1967-1444
SCHEMBL12605
DTXSID10143114
CS-W004699
NS00043134
2-Thiophenecarbonitrile
T2121
2-Thiophenonitrile

MDL Number

MFCD00005416

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 2-Thiophenecarbonitrile (CAS: 1003-31-2)?

2-Thiophenecarbonitrile (CAS: 1003-31-2) is a crystalline solid with a molecular weight of 113.13 g/mol. It has a high solubility in organic solvents such as acetone and dimethylformamide. This compound is relatively stable but can react with strong bases to form thiophene. It is often used as a building block in organic synthesis and as a precursor in the preparation of other compounds.

How is 2-Thiophenecarbonitrile (CAS: 1003-31-2) typically synthesized?

2-Thiophenecarbonitrile is typically synthesized by the nitrilation of thiophene. This can be achieved using a variety of methods, including the use of cyanide or cyanamide in the presence of a base, such as sodium hydroxide, at elevated temperatures. The reaction proceeds with good yield and selectivity, making it a reliable method for the synthesis of this compound.

What industries use 2-Thiophenecarbonitrile (CAS: 1003-31-2)?

2-Thiophenecarbonitrile (CAS: 1003-31-2) is primarily used in the pharmaceutical and polymer industries. It serves as a precursor in the synthesis of various drug intermediates and is also employed in the preparation of advanced organic materials. Additionally, it finds applications in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 2-Thiophenecarbonitrile (CAS: 1003-31-2)?

When handling 2-Thiophenecarbonitrile (CAS: 1003-31-2), it is essential to wear proper personal protective equipment (PPE), including gloves and safety goggles. Work should be conducted in a well-ventilated area or fume hood to avoid inhalation of vapors. Spills should be contained and disposed of according to local regulations. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.