1,1':3',1''-Terphenyl-5'-boronic acid(Contains varying amounts of anhydride) - ≥95% , CAS No.128388-54-5

CAS: 128388-54-5 Cat. No.: T120000 Peso molecular: 274.13 Número EC: 681-185-0 PubChem CID: 14739363

GRADE & PURITY ≥95%

Synonyms

1,1':3',1''-Terphenyl-5'-boronic acid | FT-0657245 | AKOS015840543 | DTXSID701025981 | [1,1';3',1''] terphenyl-5'-boronic acid | (3,5-DIPHENYLPHENYL)BORONIC ACID | [1~1~,2~1~:2~3~,3~1~-Terphenyl]-2~5~-ylboronic acid | 1,1':3',1''-Terphenyl-5'-ylboronic ac

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1, 1':3', 1''-Terphenyl-5'-boronic acid | FT-0657245 | AKOS015840543 | DTXSID701025981 | [1, 1';3', 1''] terphenyl-5'-boronic acid | (3, 5-DIPHENYLPHENYL)BORONIC ACID | [1~1~, 2~1~:2~3~, 3~1~-Terphenyl]-2~5~-ylboronic acid | 1, 1':3', 1''-Terphenyl-5'-ylboronic ac

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488198728
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198728
• Sonrisas canónicas: B(C1=CC(=CC(=C1)C2=CC=CC=C2)C3=CC=CC=C3)(O)O
• IUPAC Name: (3,5-diphenylphenyl)boronic acid
• InChIKey: MRBZYVMZUBUDAX-UHFFFAOYSA-N
• INCHI: 1S/C18H15BO2/c20-19(21)18-12-16(14-7-3-1-4-8-14)11-17(13-18)15-9-5-2-6-10-15/h1-13,20-21H
• Isómeros SMILES: B(C1=CC(=CC(=C1)C2=CC=CC=C2)C3=CC=CC=C3)(O)O
• PubChem CID: 14739363
• Peso molecular: 274.13
• Reaxy-Rn: 4871004

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Terphenyls
• Intermediate Tree Nodes: Not available
• Direct Parent: M-terphenyls
• Alternative Parents: Biphenyls and derivatives Boronic acids Organic metalloid salts Organometalloid compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Meta-terphenyl - Biphenyl - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic metalloid moeity - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Punto de fusión (°C): 292-296°C
• Peso molecular: 274.100 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 274.117 Da
• Monoisotopic Mass: 274.117 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 282.000
• 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

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