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

CAS: 6742-54-7 Cat. No.: U162911 Fórmula: C₁₇H₂₈ Peso molecular: 232.41 Beilstein Registry Number: 2044470 Número CE: 229-806-2 PubChem CID: 23194

GRADE & PURITY ≥98%

Synonyms

1-Phenylundecane

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1-Phenylundecane

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 528770190
• Sorrisos canónicos: 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
• SMILES isoméricas: CCCCCCCCCCCC1=CC=CC=C1
• WGK Alemanha: 1
• PubChem CID: 23194
• Peso molecular: 232.41
• Beilstein: 2044470
• Reaxy-Rn: 2044467

Taxonomic Classification

Taxonomy Tree

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

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

Propriedades químicas e físicas

• Índice de refração: 1.48
• Ponto de inflamação (°F): 235.4 °F
• Ponto de inflamação (°C): 113 °C
• Ponto de ebulição (°C): 160°C/8mmHg(lit.)
• Ponto de fusão (°C): -5 °C
• Peso molecular: 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