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

CAS: 92-06-8 Cat. No.: T113765 Molecular Weight: 230.3 Beilstein Registry Number: 1864778 EC Number: 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

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

Specifications & Purity

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

Storage

Room temperature

Shipped In

Normal

Grade

Analytical standard, for Environmental analysis

Purity

≥99.5%(GC)

Names and Identifiers

• Pubchem Sid: 528776240
• Canonical Smiles: 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
• Isomeric SMILES: C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC=CC=C3
• WGK Germany: 2
• RTECS: WZ6470000
• PubChem CID: 7076
• Molecular Weight: 230.3
• Beilstein: 1864778
• Reaxy-Rn: 1864778

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Boil Point(°C): 379°C
• Melt Point(°C): 84-88°C
• Molecular Weight: 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

References

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