3-Octylthiophene

Basic Information

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CAS Number

65016-62-8

Molecular Formula

C12H20S

Molecular Weight

196.36 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

-19.15°C (estimate)

Boiling Point

106°C/4mmHg

Density

0.92 g/mL at 25 °C

Solubility

Soluble in organic solvents.

Refractive Index

n20/D 1.492(lit.)

SMILES

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CCCCCCCCC1=CSC=C1

InChI

InChI=1S/C12H20S/c1-2-3-4-5-6-7-8-12-9-10-13-11-12/h9-11H,2-8H2,1H3

InChIKey

WQYWXQCOYRZFAV-UHFFFAOYSA-N

LogP

4.651100000000005

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

112

Safety Information

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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

Stability

Stable. Incompatible with strong oxidizing agents.

Synonyms & References

English

3-n-Octylthiophene
GEO-02064
FT-0616289
A834948
O0213
3-Octylthiophene, 97%
SB66364
3-octyl-thiophene
CS-W004389
Thiophene, 3-octyl-
AS-19032
3-Octylthiophene
104934-51-2
SCHEMBL153908
65016-62-8
AKOS004909492
FD14056
AC-4929
SY036408
DTXSID40340735
MFCD00085281
BIDD:GT0691
Ouabain octahydrate

MDL Number

MFCD00085281

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 3-Octylthiophene (CAS: 65016-62-8)?

3-Octylthiophene (CAS: 65016-62-8) is a yellow to orange crystalline solid with a molecular weight of approximately 174.32 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. Chemically, it is relatively stable under normal conditions but can react with strong oxidizing agents. It is commonly used as a building block in the synthesis of various functional materials.

How is 3-Octylthiophene (CAS: 65016-62-8) typically synthesized?

3-Octylthiophene (CAS: 65016-62-8) is typically synthesized via the reaction of thiophene with 1-octene in the presence of a suitable base such as potassium tert-butoxide. The reaction is carried out at elevated temperatures, and the catalysts and selectivity can vary depending on the specific conditions chosen. The yield can be up to 80%.

What industries use 3-Octylthiophene (CAS: 65016-62-8)?

3-Octylthiophene (CAS: 65016-62-8) is primarily used in the polymer industry as a monomer for the synthesis of conducting polymers. It is also utilized in the pharmaceutical industry as a precursor for organic semiconductors and in sensor applications due to its unique electronic properties.

What precautions should be taken when handling 3-Octylthiophene (CAS: 65016-62-8)?

When handling 3-Octylthiophene (CAS: 65016-62-8), 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. In case of a spill, it should be cleaned up immediately with appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for specific handling and emergency procedures.