3-Octylthiophene
- Product Name
- 3-Octylthiophene
- CAS No.
- 65016-62-8
- Chemical Name
- 3-Octylthiophene
- Synonyms
- S1032;FNCN-Br;3-OctyL;3-OCLylthiophene;3-OCTYLTHIOPHENE;3-N-OCTYLTHIOPHENE;Thiophene, 3-octyl-;3-Octylthiophene,90%;3-Octylthiophene,94%;3-Octylthiophene 97%
- CBNumber
- CB5333299
- Molecular Formula
- C12H20S
- Formula Weight
- 196.35
- MOL File
- 65016-62-8.mol
3-Octylthiophene Property
- Melting point:
- -19.15°C (estimate)
- Boiling point:
- 106-107 °C/3 mmHg (lit.)
- Density
- 0.92 g/mL at 25 °C (lit.)
- refractive index
- n20/D 1.492(lit.)
- Flash point:
- >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,2-8°C
- solubility
- Soluble in organic solvents.
- form
- Liquid
- Specific Gravity
- 0.92
- color
- Colorless
- Stability:
- Stable. Incompatible with strong oxidizing agents.
- 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
- SMILES
- C1SC=CC=1CCCCCCCC
- CAS DataBase Reference
- 65016-62-8(CAS DataBase Reference)
Safety
- Hazard Codes
- Xn,Xi
- Risk Statements
- 20/21/22-36/37/38
- Safety Statements
- 26-36-37/39
- WGK Germany
- 3
- HS Code
- 29349990
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- 424285
- Product name
- 3-Octylthiophene
- Purity
- 97%
- Packaging
- 5g
- Price
- $98.3
- Updated
- 2025/07/31
- Product number
- O0213
- Product name
- 3-n-Octylthiophene
- Purity
- >98.0%(GC)
- Packaging
- 1g
- Price
- $27
- Updated
- 2025/07/31
- Product number
- O0213
- Product name
- 3-n-Octylthiophene
- Purity
- >98.0%(GC)
- Packaging
- 5g
- Price
- $102
- Updated
- 2025/07/31
- Product number
- O0213
- Product name
- 3-n-Octylthiophene
- Purity
- >98.0%(GC)
- Packaging
- 25g
- Price
- $344
- Updated
- 2025/07/31
- Product number
- O294830
- Product name
- 3-Octylthiophene
- Packaging
- 500mg
- Price
- $60
- Updated
- 2021/12/16
3-Octylthiophene Chemical Properties,Usage,Production
Chemical Properties
clear colorless to light yellow liquid
Uses
3-Octylthiophene is 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).
General Description
3-Octylthiophene is an alkyl thiophene derivative. It has been synthesized by the reaction of 3-bromothiophene with octylmagnesium bromide.
Synthesis
872-31-1
111-83-1
65016-62-8
The general procedure for the synthesis of 3-octylthiophene from 3-bromothiophene and 1-bromooctane is as follows: following the methodology reported in the literature (Chochos CL, Economopoulos SP, Deimede V, Gregoriou VG, Lloyd MT, Malliaras GG, Kallitsis JK, et al. Synthesis of Soluble n-Type Cyano-Substituted Polythiophene Derivatives: Solar Cells. Chem Mater. 2007;111:10732-40), under nitrogen protection, 1-bromooctane (28.7 mL) was slowly added dropwise to a solution of magnesium (4.63 g, 193 mmol) in anhydrous ether (130 mL). The mixture was stirred under nitrogen atmosphere for 2 hours to produce Grignard reagent. Subsequently, the resulting Grignard reagent was slowly added dropwise to a reaction flask containing 3-bromothiophene (19 g, 116.6 mmol) and Ni(dppp)Cl2 (0.31 g, 0.571 mmol). The reaction mixture was heated with stirring for 24 hours. Upon completion of the reaction, the mixture was placed in an ice bath and the reaction was quenched by the addition of 2N HCl and subsequently extracted with ether. The organic layers were combined, dried over anhydrous sodium sulfate and concentrated under reduced pressure to remove the solvent. The crude product was purified by hexane column chromatography to afford the colorless oily product 3-octylthiophene (15.54 g, 68% yield).
References
[1] Journal of Organic Chemistry, 2000, vol. 65, # 13, p. 3894 - 3901
[2] Structural Chemistry, 2012, vol. 23, # 6, p. 1751 - 1760
[3] Patent: KR2018/17709, 2018, A. Location in patent: Paragraph 0196; 0199; 0200-0202
[4] Macromolecules, 2011, vol. 44, # 16, p. 6370 - 6381
[5] RSC Advances, 2016, vol. 6, # 82, p. 78984 - 78993
3-Octylthiophene Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 3-Octylthiophene manufacturers
- Product
- 3-Octylthiophene 65016-62-8
- Price
- US $200.00-1.00/KG
- Min. Order
- 1KG
- Purity
- 99%, 99.5% Sublimated
- Supply Ability
- g-kg-tons, free sample is available
- Release date
- 2023-12-31
- Product
- 3-Octylthiophene 65016-62-8
- Price
- US $1.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- Customized
- Release date
- 2018-12-19