P-terphenyl - Moligand™, ≥99% , CAS No.92-94-4

CAS: 92-94-4 Cat. No.: T105918 Formule: C₁₈H₁₄ Poids moléculaire: 230.31 Beilstein Registry Number: 1908447 Numéro CE: 202-205-2 PubChem CID: 7115

QUALITÉ & PURETÉ Moligand™, ≥99%

Synonyms

AC-18695 | EINECS 202-205-2 | NCGC00164113-01 | WLN: RR DR | 1,1'-Biphenyl, 4-phenyl- | AI3-00847 | InChI=1/C18H14/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-14 | p-Terphenyl, suitable for scintillation, >=98.5% (HPLC) | MFCD00003061 | NSC 6

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

In addition to the emission maximum at 343 nm, there are lower maxima at 325 and 327 nm.

Spécifications

Synonymes

AC-18695 | EINECS 202-205-2 | NCGC00164113-01 | WLN: RR DR | 1,1'-Biphenyl, 4-phenyl- | AI3-00847 | InChI=1/C18H14/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-14 | p-Terphenyl, suitable for scintillation, >=98.5% (HPLC) | MFCD00003061 | NSC 6

Spécifications et pureté

Moligand™, ≥99%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Grade

Moligand™

Pureté

≥99%

Noms et identifiants

Pubchem Sid

488180298

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180298

Sourires canoniques

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

IUPAC Name

1,4-diphenylbenzene

InChIKey

XJKSTNDFUHDPQJ-UHFFFAOYSA-N

INCHI

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

Isomères SMILES

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

WGK Allemagne

2

RTECS

WZ6475000

PubChem CID

7115

Poids moléculaire

230.31

Beilstein

1908447

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: P-terphenyls
• Alternative Parents: Biphenyls and derivatives Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Para-terphenyl - Biphenyl - 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: para-terphenyl

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

Cibles associées (humaines)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

Discover Target: PTGS2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cibles associées (non humaines)

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Insoluble in water. Soluble in hot benzene. Very soluble in hot ethyl alcohol.
• Point d'ébullition (°C): 389 °C
• Point de fusion (°C): 211 °C
• Poids moléculaire: 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: 198.000
• 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