Undecylbenzene - ≥98% , CAS No.6742-54-7

CAS: 6742-54-7 Cat. No.: U162911 Summenformel: C₁₇H₂₈ Molekulargewicht: 232.41 Beilstein Registry Number: 2044470 EG-Nummer: 229-806-2 PubChem CID: 23194

GRADE & PURITY ≥98%

Synonyms

1-Phenylundecane

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

1-Phenylundecane

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 528770190
• Kanonisches Lächeln: CCCCCCCCCCCC1=CC=CC=C1
• IUPAC Name: undecylbenzene
• InChIKey: XBEADGFTLHRJRB-UHFFFAOYSA-N
• INCHI: 1S/C17H28/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16-17/h10,12-13,15-16H,2-9,11,14H2,1H3
• Isomere SMILES: CCCCCCCCCCCC1=CC=CC=C1
• WGK Deutschland: 1
• PubChem CID: 23194
• Molekulargewicht: 232.41
• Beilstein: 2044470
• Reaxy-Rn: 2044467

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

• Brechungsindex: 1.48
• Flammpunkt (°F): 235.4 °F
• Flammpunkt (°C): 113 °C
• Siedepunkt (°C): 160°C/8mmHg(lit.)
• Schmelzpunkt (°C): -5 °C
• Molekulargewicht: 232.400 g/mol
• XLogP3: 8.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 10
• Exact Mass: 232.219 Da
• Monoisotopic Mass: 232.219 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 144.000
• 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. Jin Zhong, Qiang Deng, Taimei Cai, Xiang Li, Rui Gao, Jun Wang, Zheling Zeng, Guiping Dai, Shuguang Deng.  (2021)  Graphitic carbon embedded FeNi nanoparticles for efficient deoxygenation of stearic acid without using hydrogen and solvent.  FUEL,      [PMID:] [10.1016/j.fuel.2021.120248]