4-Biphenyl Benzoate - ≥98% , CAS No.2170-13-0

CAS: 2170-13-0 Cat. No.: B107925 Formula: C₁₉H₁₄O₂ Peso molecolare: 274.322 Beilstein Registry Number: 9(2)106 Numero EC: 683-536-3

GRADE & PURITY ≥98%

Synonyms

B1866 | FT-0654771 | Benzoic Acid 4-Biphenyl Ester | Benzoic Acid 4-Biphenyl Ester | LS-14698 | SCHEMBL2638440 | CBDivE_002849 | Benzoic acid, 4-biphenyl ester | 4-Benzoyloxybiphenyl | 4-Biphenylyl benzoate | NSC28435 | NSC-28435 | [1,1'-BIPHENYL]-4-YL B

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

B1866 | FT-0654771 | Benzoic Acid 4-Biphenyl Ester | Benzoic Acid 4-Biphenyl Ester | LS-14698 | SCHEMBL2638440 | CBDivE_002849 | Benzoic acid, 4-biphenyl ester | 4-Benzoyloxybiphenyl | 4-Biphenylyl benzoate | NSC28435 | NSC-28435 | [1,1'-BIPHENYL]-4-YL B

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504757995

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757995

Sorrisi canonici

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

IUPAC Name

(4-phenylphenyl) benzoate

InChIKey

CINHWMYRCOGYIX-UHFFFAOYSA-N

INCHI

1S/C19H14O2/c20-19(17-9-5-2-6-10-17)21-18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14H

Isomeri SMILES

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

Peso molecolare

274.322

Beilstein

9(2)106

Reaxy-Rn

2652754

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2652754&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Depsides and depsidones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Depsides and depsidones
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Depsides and depsidones
• Alternative Parents: Biphenyls and derivatives Phenol esters Benzoic acid esters Phenoxy compounds Benzoyl derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Depside backbone - Biphenyl - Benzoate ester - Phenol ester - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone).
• 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

Proprietà chimiche e fisiche

• Punto di fusione (°C): 151°C
• Peso molecolare: 274.300 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 274.099 Da
• Monoisotopic Mass: 274.099 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 318.000
• 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