3-Hexylthiophene - ≥98%, used for 3-Hexylthiophene may be used as starting reagent in the synthesis of poly(3-hexylthiophene) (P3HT). various applications , CAS No.1693-86-3

CAS: 1693-86-3 Cat. No.: H110541 Formula: C₁₀H₁₆S Peso molecolare: 168.3 Beilstein Registry Number: 1617129 Numero EC: 629-237-3

GRADE & PURITY ≥98%

Synonyms

3-n-Hexylthiophene | AM84585 | SB66471 | Thiophene, 3-hexyl- | 3-hexylthiophen | EN300-95564 | BBL102713 | H0756 | 3-Hexylthiophene | 3-hexyl-thiophene | MFCD00143181 | AC-4501 | Q-100204 | AS-19031 | FT-0615787 | AKOS005257744 | GEO-01495 | STL556519 | S

Storage

Protected from light,Room temperature,Argon charged,Desiccated

Shipped In

Normal

Panoramica

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).

Specifications

Sinonimi

3-n-Hexylthiophene | AM84585 | SB66471 | Thiophene, 3-hexyl- | 3-hexylthiophen | EN300-95564 | BBL102713 | H0756 | 3-Hexylthiophene | 3-hexyl-thiophene | MFCD00143181 | AC-4501 | Q-100204 | AS-19031 | FT-0615787 | AKOS005257744 | GEO-01495 | STL556519 | S

Specifiche e purezza

≥98%

Applicazione

3-Hexylthiophene may be used as starting reagent in the synthesis of poly(3-hexylthiophene) (P3HT).

Condizioni di conservazione di stoccaggio

Protected from light,Room temperature,Argon charged,Desiccated

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488190338
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190338
• Sorrisi canonici: CCCCCCC1=CSC=C1
• IUPAC Name: 3-hexylthiophene
• InChIKey: JEDHEMYZURJGRQ-UHFFFAOYSA-N
• INCHI: 1S/C10H16S/c1-2-3-4-5-6-10-7-8-11-9-10/h7-9H,2-6H2,1H3
• Isomeri SMILES: CCCCCCC1=CSC=C1
• WGK Germania: 3
• Numero UN: 1993
• Peso molecolare: 168.3
• Beilstein: 1617129
• Reaxy-Rn: 1617129
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1617129&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Heteroaromatic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Heteroaromatic compounds
• Alternative Parents: Thiophenes Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Thiophene - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Sensibilità: Light sensitive.Air sensitive
• Indice di rifrazione: 1.496
• Punto di infiammabilità (°F): 98.6 °F
• Punto di infiammabilità (°C): 37 °C
• Punto di ebollizione (°C): 65°C
• Peso molecolare: 168.300 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 168.097 Da
• Monoisotopic Mass: 168.097 Da
• Topological Polar Surface Area: 28.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 90.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Riferimenti

1. Haoran Xu, Yanjun Hou, Rui Li, Lijing Chang, Yang Ma, Shoulei Miao, Haijun Niu.  (2021)  D-A type hybrid polymers based on EDOT and various benzodiazoles for electrochromic materials.  JOURNAL OF APPLIED POLYMER SCIENCE,  138  (36): (50926).  [PMID:] [10.1002/app.50926]

2. Hongjie Zhu, Zhihao Chen, Youyou Hu, Lingxuan Gong, Dandan Li, Zhengkui Li.  (2020)  A novel immobilized Z-scheme P3HT/α-Fe2O3 photocatalyst array: Study on the excellent photocatalytic performance and photocatalytic mechanism.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:31972528] [10.1016/j.jhazmat.2020.122119]

3. Xiang Tao, Wang Qingxiu, Duan Lijie, Liu Fude.  (2017)  Poly(4,4'-bis(thien-2-yl)azobenzene-co-3-hexylthiophene): Synthesis and optical/electrochemical properties.  JOURNAL OF WUHAN UNIVERSITY OF TECHNOLOGY-MATERIALS SCIENCE EDITION,  32  (4): (772-776).  [PMID:] [10.1007/s11595-017-1666-y]

4. Zijian He, Nian Li, Yunan Wu, Huajie Lai, Bo Liu, Tao Jin.  (2024)  Enhancing Photocatalyst Efficiency by Constructing a Flake-like Janus Structure for Efficient Degradation of Benzotriazole.  ACS Applied Nano Materials,      [PMID:] [10.1021/acsanm.3c04213]