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 Formule: C₁₀H₁₆S Poids moléculaire: 168.3 Beilstein Registry Number: 1617129 Numéro CE: 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

≥98%

Application

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

Conditions de stockage de stockage

Protected from light,Room temperature,Argon charged,Desiccated

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488190338

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190338

Sourires canoniques

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

Isomères SMILES

CCCCCCC1=CSC=C1

WGK Allemagne

3

Numéro ONU

1993

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Light sensitive.Air sensitive
• Indice de réfraction: 1.496
• Point d'éclair (°F): 98.6 °F
• Point d'éclair (°C): 37 °C
• Point d'ébullition (°C): 65°C
• Poids moléculaire: 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