4,4'-Diethylbiphenyl - ≥98%(GC) , CAS No.13049-40-6

CAS: 13049-40-6 Cat. No.: D155019 Summenformel: C₁₆H₁₈ Molekulargewicht: 210.32 EG-Nummer: 680-147-0

GRADE & PURITY ≥98%(GC)

Synonyms

DTXSID10926762 | D90134 | 4,4'-DIETHYL-1,1'-BIPHENYL | AS-59426 | 4,4'-DIETHYLBIPHENYL | 4,4'-diethyl-biphenyl | 1,1'-Biphenyl,4,4'-diethyl- | FT-0701930 | 1,1'-Biphenyl, 4,4'-diethyl- | D2938 | MFCD06797093 | 4,4/'-Diethylbiphenyl | AKOS015918082 | 1-eth

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

DTXSID10926762 | D90134 | 4,4'-DIETHYL-1,1'-BIPHENYL | AS-59426 | 4,4'-DIETHYLBIPHENYL | 4,4'-diethyl-biphenyl | 1,1'-Biphenyl,4,4'-diethyl- | FT-0701930 | 1,1'-Biphenyl, 4,4'-diethyl- | D2938 | MFCD06797093 | 4,4/'-Diethylbiphenyl | AKOS015918082 | 1-eth

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

• Pubchem Sid: 488183340
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183340
• Kanonisches Lächeln: CCC1=CC=C(C=C1)C2=CC=C(C=C2)CC
• IUPAC Name: 1-ethyl-4-(4-ethylphenyl)benzene
• InChIKey: UMSGIWAAMHRVQI-UHFFFAOYSA-N
• INCHI: 1S/C16H18/c1-3-13-5-9-15(10-6-13)16-11-7-14(4-2)8-12-16/h5-12H,3-4H2,1-2H3
• Isomere SMILES: CCC1=CC=C(C=C1)C2=CC=C(C=C2)CC
• Molekulargewicht: 210.32
• Reaxy-Rn: 1932425
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1932425&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): 315°C(lit.)
• Schmelzpunkt (°C): 82°C(lit.)
• Molekulargewicht: 210.310 g/mol
• XLogP3: 6.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 210.141 Da
• Monoisotopic Mass: 210.141 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 158.000
• 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

Referenzen

1. Guo-Shan Zhu, Ren-Jie Hui, Jun Hu.  (2025)  Microdroplet Stabilization Enabled Direct Mass Spectrometric Identification of Electrogenerated Transient Carbocation Intermediates.  Advanced Science,      [PMID:41355586] [10.1002/advs.202518157]

Häufig gestellte Fragen

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 room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 13049-40-6, the molecular formula is C16H18, and the molecular weight is 210.32 g/mol. InChIKey UMSGIWAAMHRVQI-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.