m-Terphenyl - analytical standard, for environmental analysis, ≥99.5%(GC) , CAS No.92-06-8

CAS: 92-06-8 Cat. No.: T113765 Fórmula: C₁₈H₁₄ Peso molecular: 230.3 Beilstein Registry Number: 1864778 Número CE: 202-122-1 PubChem CID: 7076

GRADE & PURITY Analytical standard, for Environmental analysis, ≥99.5%(GC)

Synonyms

InChI=1/C18H14/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16/h1-14 | 1,3-Diphenylbenzene | 1,3-Diphenyl-benzene | NCGC00259128-01 | m-Diphenylbenzene | EINECS 202-122-1 | Q20965190 | 1,3-Terphenyl | AKOS002386404 | Benzene, m-diphenyl- | NCGC00249

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

InChI=1/C18H14/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16/h1-14 | 1,3-Diphenylbenzene | 1,3-Diphenyl-benzene | NCGC00259128-01 | m-Diphenylbenzene | EINECS 202-122-1 | Q20965190 | 1,3-Terphenyl | AKOS002386404 | Benzene, m-diphenyl- | NCGC00249

Especificações e pureza

analytical standard, for environmental analysis, ≥99.5%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Grau

Padrão analítico, para análise ambiental

Pureza

≥99.5%(GC)

Nomes e identificadores

Pubchem Sid

528776240

Sorrisos canónicos

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC=CC=C3

IUPAC Name

1,3-diphenylbenzene

InChIKey

YJTKZCDBKVTVBY-UHFFFAOYSA-N

INCHI

1S/C18H14/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16/h1-14H

SMILES isoméricas

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC=CC=C3

WGK Alemanha

2

RTECS

WZ6470000

PubChem CID

7076

Peso molecular

230.3

Beilstein

1864778

Reaxy-Rn

1864778

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Terphenyls
• Intermediate Tree Nodes: Not available
• Direct Parent: M-terphenyls
• Alternative Parents: Biphenyls and derivatives Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Meta-terphenyl - Biphenyl - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as m-terphenyls. These are terphenyls with a structure containing the 1,3-diphenylbenzene skeleton.
• 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

• Ponto de ebulição (°C): 379°C
• Ponto de fusão (°C): 84-88°C
• Peso molecular: 230.300 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 230.11 Da
• Monoisotopic Mass: 230.11 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 208.000
• 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