3-Thienylacetonitrile

Basic Information

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CAS Number

13781-53-8

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

Boiling Point

125°C/15.8mmHg

Refractive Index

n20/D 1.545(lit.)

SMILES

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C1=CSC=C1CC#N

InChI

InChI=1S/C6H5NS/c7-3-1-6-2-4-8-5-6/h2,4-5H,1H2

InChIKey

GWZCLMWEJWPFFA-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

113

Safety Information

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Hazard Statement

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

3-cyanomethylthiophene
3-Thienylacetonitrile
thiophen-3-yl-acetonitrile
3-Thienylacetonitrile #
AKOS001144602
F0001-0473
Thiophene-3-acetonitrile
13781-53-8
2-thiophen-3-ylacetonitrile
W-110353
Z111869576
BP-12656
DTXSID80160318
2-(3-thienyl)acetonitrile
3-Thiopheneacetonitrile
3-Thiopheneacetonitrile, 96%
thiophene-3-acetonitril
AS-14547
PB19846
AC-18966
HMS1784K13
NS00024469
T1193
FT-0616404
BIDD:GT0037
EN300-15001
CS-0040874
AMY21841
MFCD00005471
SY027664
EINECS 237-433-1

MDL Number

MFCD00005471

Customs Code

2934999090

FAQ

What regulatory guidelines apply to 3-Thienylacetonitrile (CAS: 13781-53-8)?

3-Thienylacetonitrile (CAS: 13781-53-8) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) and the REACH regulations in the European Union. It is also subject to the EPA and FDA regulations in the United States. Companies handling this compound must comply with these guidelines for safe storage, transportation, and disposal.

Are there alternatives to 3-Thienylacetonitrile (CAS: 13781-53-8) in synthesis?

Functional group analogs like thiophene derivatives can serve as alternatives in synthesis. Common reagents such as thiophenecarbothione or thiophene-2-carbaldehyde can be used as substitutes. These alternatives offer similar reactivity and can be integrated into the synthesis of related compounds.

What is the market or research trend for 3-Thienylacetonitrile (CAS: 13781-53-8)?

The market for 3-Thienylacetonitrile (CAS: 13781-53-8) is driven by its application in pharmaceuticals and organic synthesis. Research trends focus on exploring its use in synthesizing heterocyclic compounds and as a precursor in drug development. Prices and demand are expected to remain stable due to its consistent demand in the industry.

How should waste containing 3-Thienylacetonitrile (CAS: 13781-53-8) be handled?

Waste containing 3-Thienylacetonitrile (CAS: 13781-53-8) should be collected in appropriate containers and disposed of by incineration or professional waste disposal services. It is crucial to follow local environmental protection regulations to ensure safe disposal. Protective measures like wearing gloves and respirators should be taken during handling to prevent exposure.