2-Thienylacetonitrile

Basic Information

View in Editor

CAS Number

20893-30-5

Molecular Formula

C6H5NS

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

Melting Point

-5 C

Boiling Point

120°C/22mmHg

Refractive Index

n20/D 1.542(lit.)

SMILES

View in Editor

C1=CSC(=C1)CC#N

InChI

InChI=1S/C6H5NS/c7-4-3-6-2-1-5-8-6/h1-2,5H,3H2

InChIKey

CLSHQIDDCJTHAJ-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

113

Safety Information

View Safety Information

GHS Hazard Pictograms

H302

H312

H315

H319

H332

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

AC-2494
NS00007732
AMY23238
Thien-2-ylacetonitrile
SCHEMBL37659
2-thienyl acetonitrile
2-thiophen-2-ylacetonitrile
T0799
2-(2-thienyl)acetonitrile
D71260
Thiophene-2-acetonitrile
CHEBI:27382
2-Thiopheneacetonitrile, 97%
2-Thienylacetonitrile
EN300-21381
F0001-0748
2-(Cyanomethyl)thiophene
2-cyanomethylthiophene
C03311
(Thien-2-yl)acetonitrile
BIDD:GT0061
PS-3265
thiophen-2-ylacetonitrile
Z104495654
AKOS000119357
AI3-08540
FT-0638060
W-107587
2-thiophene acetonitrile
20893-30-5
CS-W007592

MDL Number

MFCD00005453

Customs Code

29349990

FAQ

What are the physical and chemical properties of 2-Thienylacetonitrile (CAS: 20893-30-5)?

2-Thienylacetonitrile is a colorless to light yellow liquid with a molecular weight of approximately 134.13 g/mol. It has a boiling point of around 185°C and a melting point of -30°C. Solubility is good in organic solvents like ethanol and acetone. It is slightly soluble in water. The compound is relatively stable but can undergo hydrolysis under basic conditions. It is reactive towards nucleophiles, making it useful for various chemical transformations.

How is 2-Thienylacetonitrile (CAS: 20893-30-5) typically synthesized?

2-Thienylacetonitrile is commonly synthesized via the reaction of thiophene and acetonitrile in the presence of a base. This method involves treating thiophene with acetonitrile in an organic solvent such as toluene or DMF with a base like potassium tert-butoxide. The reaction is exothermic and should be carried out under stirring conditions. The yield is typically around 70-80%, with good selectivity for the desired product.

What industries use 2-Thienylacetonitrile (CAS: 20893-30-5)?

2-Thienylacetonitrile is used in various industries due to its chemical reactivity and functional groups. It is particularly important in the pharmaceutical industry for the synthesis of bioactive compounds. In the polymer industry, it can be used as a monomer or additive. It also finds applications in the production of sensors and in the semiconductor industry for functionalization of surfaces and layers.

What precautions should be taken when handling 2-Thienylacetonitrile (CAS: 20893-30-5)?

When handling 2-Thienylacetonitrile, it is important to use appropriate personal protective equipment (PPE) such as gloves and safety goggles. The compound should be stored in a cool, well-ventilated area, away from heat and ignition sources. Fume hoods should be used during handling to minimize inhalation risk. In case of spills, they should be carefully cleaned up using absorbent materials, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and storage guidelines.