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

CAS: 13049-40-6 Cat. No.: D155019 Formula: C₁₆H₁₈ Peso molecolare: 210.32 Numero EC: 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

Sinonimi

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

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

• Pubchem Sid: 488183340
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183340
• Sorrisi canonici: 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
• Isomeri SMILES: CCC1=CC=C(C=C1)C2=CC=C(C=C2)CC
• Peso molecolare: 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
    • Classe Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di ebollizione (°C): 315°C(lit.)
• Punto di fusione (°C): 82°C(lit.)
• Peso molecolare: 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

Riferimenti

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]

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 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.