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Sigma-Aldrich

3-Octylthiophene

97%

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About This Item

Empirical Formula (Hill Notation):
C12H20S
CAS Number:
65016-62-8
Molecular Weight:
196.35
MDL number:
MFCD00085281
UNSPSC Code:
12352100
PubChem Substance ID:
24866561
NACRES:
NA.22

Quality Level

100

Assay

97%

form

liquid

refractive index

n20/D 1.492 (lit.)

bp

106-107 °C/3 mmHg (lit.)

density

0.92 g/mL at 25 °C (lit.)

SMILES string

CCCCCCCCc1ccsc1

InChI

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

InChI key

WQYWXQCOYRZFAV-UHFFFAOYSA-N

General description

3-Octylthiophene is an alkyl thiophene derivative. It has been synthesized by the reaction of 3-bromothiophene with octylmagnesium bromide.

Application

3-Octylthiophene may be used as a starting material in the synthesis of the following:
  • 2,5-dibromo-3-octylthiophene
  • poly(3-butylthiophene)-b-poly(3-octylthiophene), a diblock copoly(3-alkylthiophene)
  • regioregular poly(3-octylthiophene) (POT)

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
SHBJ8369
SHBF9226V
79196EM
75296HK
02728HH

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Soluble Phenanthrenyl-Imidazole-Presenting Regioregular Poly (3-octylthiophene) Copolymers Having Tunable Bandgaps for Solar Cell Applications.
Chang YT, et al.
Advances in Functional Materials, 17(16), 3326-3331 (2007)
New convenient synthesis of highly regioregular poly (3-octylthiophene) based on the Suzuki coupling reaction.
Guillerez S and Bidan G.
Synthetic Metals, 93(2), 123-126 (1998)
Crystalline diblock conjugated copolymers: Synthesis, self-assembly, and microphase separation of poly (3-butylthiophene)-b-poly (3-octylthiophene).
Wu PT, et al.
Macromolecules, 42(7), 2317-2320 (2009)
Said A Hassan et al.
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