3-Dodecylthiophene

Basic Information

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CAS Number

104934-52-3

Molecular Formula

C16H28S

Molecular Weight

252.47 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

-0.15°C (estimate)

Boiling Point

175°C/1.8mmHg

Refractive Index

n20/D 1.488(lit.)

SMILES

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CCCCCCCCCCCCC1=CSC=C1

InChI

InChI=1S/C16H28S/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17-15-16/h13-15H,2-12H2,1H3

InChIKey

RFKWIEFTBMACPZ-UHFFFAOYSA-N

LogP

6.211500000000006

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

156

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

Synonyms & References

English

3-dodecyl thiophene
SCHEMBL79577
C16H28S
104934-52-3
2122800-12-6
F14937
RFKWIEFTBMACPZ-UHFFFAOYSA-N
AKOS005254617
3-Dodecylthiophene, 97%
SY246287
D2016
BIDD:GT0253
MFCD00130121
3-Laurylthiophene
3-Dodecylthiophene-2-D
AS-14539
GEO-01280
CS-W004390
AC-33675
3-dodecyl-thiophene
MFCD26958733
A801103
Thiophene, 3-dodecyl-
SY011230
W-200077
104934-53-4
MFCD31699966
DTXSID40369961
FT-0616209
3-Dodecylthiophene
SB66696

MDL Number

MFCD00130121

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 3-Dodecylthiophene (CAS: 104934-52-3)?

3-Dodecylthiophene is a liquid at room temperature with a characteristic aroma. It has a molecular weight of approximately 238.37 g/mol. The compound is poorly soluble in water but soluble in organic solvents such as benzene and toluene. It is moderately reactive, particularly towards protonation and oxidation.

How is 3-Dodecylthiophene (CAS: 104934-52-3) typically synthesized?

3-Dodecylthiophene is typically synthesized via the alkylation of thiophene with 1-dodecene in the presence of a Lewis acid catalyst, such as aluminum trichloride, under reflux conditions. The reaction yields a thiophene derivative with high selectivity and good yield.

What industries use 3-Dodecylthiophene (CAS: 104934-52-3)?

3-Dodecylthiophene is used in the production of functionalized polymers, particularly for electronic applications, and as a precursor in the synthesis of thiophene derivatives for use in pharmaceuticals and semiconductors. It is also utilized in the development of sensors due to its unique electronic properties.

What precautions should be taken when handling 3-Dodecylthiophene (CAS: 104934-52-3)?

When handling 3-dodecylthiophene, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be handled according to standard chemical spill procedures. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety information.