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

CAS: 92-06-8 Cat. No.: T113765 分子式: C₁₈H₁₄ 分子量: 230.3 Beilstein Registry Number: 1864778 EC番号: 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

同義語

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

仕様と純度

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

保管条件

Room temperature

入荷

Normal

等級

分析用標準物質, 環境分析用

純度

≥99.5%(GC)

名前と識別子

パブケム・シド

528776240

カノニカル・スマイル

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

異性体SMILES

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

WGKドイツ

2

RTECS

WZ6470000

PubChem CID

7076

分子量

230.3

Beilstein

1864778

Reaxy-Rn

1864778

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 沸点（°C）: 379°C
• 融点（°C）: 84-88°C
• 分子量: 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