3-Hexylthiophene
- Product Name
- 3-Hexylthiophene
- CAS No.
- 1693-86-3
- Chemical Name
- 3-Hexylthiophene
- Synonyms
- 3-Hexylthiopene;S1031;3-HexyL;3-Hexylthiophen;4-Hexylthiophene;3-HEXYLTHIOPHENE;5-Hexylthiophene;3-N-HEXYLTHIOPHENE;HEXYLTHIOPHENE(3-);3-Hexylthiophene>
- CBNumber
- CB0114358
- Molecular Formula
- C10H16S
- Formula Weight
- 168.3
- MOL File
- 1693-86-3.mol
3-Hexylthiophene Property
- Melting point:
- -39.15°C (estimate)
- Boiling point:
- 65 °C/0.45 mmHg (lit.)
- Density
- 0.936 g/mL at 25 °C (lit.)
- refractive index
- n20/D 1.496(lit.)
- Flash point:
- 100 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- Liquid
- color
- Clear colorless to slightly yellow or red
- Water Solubility
- Partly soluble in water.
- BRN
- 1617129
- InChI
- InChI=1S/C10H16S/c1-2-3-4-5-6-10-7-8-11-9-10/h7-9H,2-6H2,1H3
- InChIKey
- JEDHEMYZURJGRQ-UHFFFAOYSA-N
- SMILES
- C1SC=CC=1CCCCCC
- CAS DataBase Reference
- 1693-86-3(CAS DataBase Reference)
Safety
- Hazard Codes
- Xn,Xi
- Risk Statements
- 10-20/21/22-36/37/38-20
- Safety Statements
- 16-26-36-37/39
- RIDADR
- UN 1993 3/PG 3
- WGK Germany
- 3
- HazardClass
- 3
- PackingGroup
- III
- HS Code
- 29349990
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H226Flammable liquid and vapour
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
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
- 399051
- Product name
- 3-Hexylthiophene
- Purity
- ≥99%
- Packaging
- 1g
- Price
- $51.3
- Updated
- 2025/07/31
- Product number
- 399051
- Product name
- 3-Hexylthiophene
- Purity
- ≥99%
- Packaging
- 5g
- Price
- $118
- Updated
- 2025/07/31
- Product number
- H0756
- Product name
- 3-Hexylthiophene
- Purity
- >98.0%(GC)
- Packaging
- 1g
- Price
- $33
- Updated
- 2025/07/31
- Product number
- H0756
- Product name
- 3-Hexylthiophene
- Purity
- >98.0%(GC)
- Packaging
- 5g
- Price
- $99
- Updated
- 2025/07/31
- Product number
- H0756
- Product name
- 3-Hexylthiophene
- Purity
- >98.0%(GC)
- Packaging
- 25g
- Price
- $293
- Updated
- 2025/07/31
3-Hexylthiophene Chemical Properties,Usage,Production
Description
3-Hexylthiophene is the intermediate for the synthesis of poly(3-hexylthiophene), referred as P3HT. To date, it is the most studied polymer for polymer solar cells. The efficiency of a P3HT/PCBM solar cell is typically 4-5 %, but with new fullerene materials developed to closely match the energy levels of P3HT (HOMO 5.0 eV, LUMO 3.0 eV), device performances have been pushed to 6.5%.
Chemical Properties
colorless transparent or light yellow liquid
Uses
3-n-Hexylthiophene is a conducting polymer precursor. may be used in the synthesis of poly(3-hexylthiophene). MgKR X-ray and low energy electron induced oligomerization of physisorbed layers of 3-hexylthiophene condensed on clean gold results in the formation of an organic film.
Uses
3-Hexylthiophene may be used as starting reagent in the synthesis of poly(3-hexylthiophene) (P3HT). Poly(3-hexylthiophene) (P3HT) nanofibres have been used for the preparation of organic phototransistors (OPTs).
Preparation
The 2,5-dibromo-3-dodecylthiophene was dissolved in tetrahydromyran, added with methylmagnesium bromide, preheated and added with catalyst for reaction reaction was injected into alcohol solvent, and hexane was added to remove the copolymer, and then the mixture was soxhlet filtered using chloroform, and the chloroform layer was evaporated and concentrated to obtain a purple membrane; the purple membrane was vacuum filtered to obtain the product 3-hexylthiophene.
General Description
3-Hexylthiophene, a sulfur containing heterocyclic building block, is a thiophene derivative. Poly(3-hexylthiophene) (P3HT) nanofibres have been used for the preparation of organic phototransistors (OPTs).
Synthesis
872-31-1
3761-92-0
1693-86-3
The general procedure for the synthesis of 3-hexylthiophene from 3-bromothiophene and hexylmagnesium bromide via a nickel-catalyzed coupling reaction was as follows: 3-bromothiophene (166.0 g, 1.018 mol) and anhydrous diethyl ether (300 mL) were added to a three-necked flask equipped with a stirrer under the protection of nitrogen gas, and then Ni(dppp)Cl2 catalyst (5.19 g, 0.0102 mol). The reaction system was cooled to 0 °C and a 2.0 M diethyl ether solution of hexylmagnesium bromide (0.61 L, 1.22 mol) was slowly added dropwise. After the dropwise addition was completed, the reaction mixture was warmed to room temperature and stirred overnight. Upon completion of the reaction, the reaction mixture was neutralized with 1 M HCl solution, followed by extraction of the organic phase with ether. The organic phase was washed with saturated NaHCO3 solution and dried with MgSO4. The dried organic phase was purified by short distillation to afford 3-hexylthiophene (163.73 g, 0.973 mol, 95.6% yield) with a boiling point of 81-84 °C (7.103 mbar). The product was characterized by TLC (unfolding agent: hexane, Rf = 0.81), 1H NMR, 13C NMR, GC/MS and FT-IR.
References
[1] Patent: WO2010/504, 2010, A1. Location in patent: Page/Page column 25-26
[2] Patent: WO2011/69554, 2011, A1. Location in patent: Page/Page column 28-29
[3] New Journal of Chemistry, 2001, vol. 25, # 2, p. 318 - 321
[4] Journal of Organic Chemistry, 2002, vol. 67, # 14, p. 4924 - 4936
[5] Angewandte Chemie - International Edition, 2009, vol. 48, # 43, p. 8014 - 8017
3-Hexylthiophene Preparation Products And Raw materials
Raw materials
Preparation Products
3-Hexylthiophene Suppliers
- Tel
- 13402251831
- 3635790176@qq.com
- Country
- China
- ProdList
- 106
- Advantage
- 58
- Tel
- 0393-0393-0393-8910800 15039333257
- Fax
- 0393-8912775
- info@huichengchem.com
- Country
- China
- ProdList
- 569
- Advantage
- 64
- Tel
- 13052376889 13681663468
- 2851911691@qq.com
- Country
- China
- ProdList
- 824
- Advantage
- 58
- Tel
- 18210857532; 18210857532
- Fax
- 86-10-82849933
- jkinfo@jkchemical.com
- Country
- China
- ProdList
- 96815
- Advantage
- 76
- Tel
- 4006356688 18621169109
- Fax
- 86-21-61259102
- market03@meryer.com
- Country
- China
- ProdList
- 40228
- Advantage
- 62
- Tel
- 010-88425576
- Fax
- (+86)-10-88425546
- sales@dhltchem.com
- Country
- China
- ProdList
- 793
- Advantage
- 59
- Tel
- 821-50328103-801 18930552037
- Fax
- 86-21-50328109
- 3bsc@sina.com
- Country
- China
- ProdList
- 15838
- Advantage
- 69
- Tel
- 400-0066400 13621662912
- Fax
- 021-55660885
- sales@jonln.com
- Country
- China
- ProdList
- 1995
- Advantage
- 65
- Tel
- 400-6106006
- Fax
- 021-67582001/03/05
- saleschina@alfa-asia.com
- Country
- China
- ProdList
- 30123
- Advantage
- 84
- Tel
- 021-67121386
- Fax
- 021-67121385
- Sales-CN@TCIchemicals.com
- Country
- China
- ProdList
- 24529
- Advantage
- 81
View Lastest Price from 3-Hexylthiophene manufacturers
- Product
- 3-Hexylthiophene 1693-86-3
- Price
- US $6.00/kg
- Min. Order
- 1kg
- Purity
- 0.99
- Supply Ability
- 100000
- Release date
- 2024-08-08
- Product
- 3-Hexylthiophene 1693-86-3
- Price
- US $10.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 10 mt
- Release date
- 2024-11-20
- Product
- 3-hexylthiophene 1693-86-3
- 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
- 2023-12-30