2-(2-Ethylhexyl)thiophene - ≥98%(GC) , CAS No.4891-44-5

CAS: 4891-44-5 Cat. No.: E404411 Formula: C₁₂H₂₀S Peso molecolare: 196.35

GRADE & PURITY ≥98%(GC)

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%(GC)

Nomi e identificatori

• Pubchem Sid: 504759280
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759280
• Sorrisi canonici: CCCCC(CC)CC1=CC=CS1
• IUPAC Name: 2-(2-ethylhexyl)thiophene
• InChIKey: JACCFQMSOHCQFN-UHFFFAOYSA-N
• INCHI: 1S/C12H20S/c1-3-5-7-11(4-2)10-12-8-6-9-13-12/h6,8-9,11H,3-5,7,10H2,1-2H3
• Isomeri SMILES: CCCCC(CC)CC1=CC=CS1
• Peso molecolare: 196.35
• Reaxy-Rn: 21555727
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21555727&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: Heat Sensitive
• Indice di rifrazione: 1.49
• Punto di infiammabilità (°C): 79 °C
• Peso molecolare: 196.350 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 196.129 Da
• Monoisotopic Mass: 196.129 Da
• Topological Polar Surface Area: 28.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 122.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 4891-44-5, the molecular formula is C12H20S, and the molecular weight is 196.35 g/mol. InChIKey JACCFQMSOHCQFN-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.