1,4-Dimethyl-2,5-diphenylbenzene - ≥98% , CAS No.20260-22-4

CAS: 20260-22-4 Cat. No.: D182582 Molecular Weight: 258.4

GRADE & PURITY ≥98%

Synonyms

1,4-dimethyl-2,5-diphenylbenzene|20260-22-4|2',5'-Dimethyl-1,1':4',1''-terphenyl|2',5'-Dimethyl-p-terphenyl|1,1':4',1''-Terphenyl, 2',5'-dimethyl-|DTXSID90347390|1,4-diphenyl-2,5-dimethylbezene|1,4-diphenyl-2,5-dimethylbenzene|2,5-Diphenyl-1,4-dimethylben

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1, 4-dimethyl-2, 5-diphenylbenzene | 20260-22-4 | 2', 5'-Dimethyl-1, 1':4', 1''-terphenyl | 2', 5'-Dimethyl-p-terphenyl | 1, 1':4', 1''-Terphenyl, 2', 5'-dimethyl- | DTXSID90347390 | 1, 4-diphenyl-2, 5-dimethylbezene | 1, 4-diphenyl-2, 5-dimethylbenzene | 2, 5-Diphenyl-1, 4-dimethylben

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1=CC(=C(C=C1C2=CC=CC=C2)C)C3=CC=CC=C3
• IUPAC Name: 1,4-dimethyl-2,5-diphenylbenzene
• InChIKey: TUSIRMATSRRTEJ-UHFFFAOYSA-N
• INCHI: 1S/C20H18/c1-15-13-20(18-11-7-4-8-12-18)16(2)14-19(15)17-9-5-3-6-10-17/h3-14H,1-2H3
• Isomeric SMILES: CC1=CC(=C(C=C1C2=CC=CC=C2)C)C3=CC=CC=C3
• Molecular Weight: 258.4
• Reaxy-Rn: 2101087
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2101087&ln=

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: P-terphenyls
• Alternative Parents: Biphenyls and derivatives p-Xylenes Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Para-terphenyl - Biphenyl - P-xylene - Xylene - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as p-terphenyls. These are terphenyls with a structure containing the 1,4-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

• Molecular Weight: 258.399 g/mol
• XLogP3: 5.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 258.141 Da
• Monoisotopic Mass: 258.141 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 252.000
• 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