4'-Cyanobiphenyl-4-ylboronic acid（contains varying amounts of Anhydride） - ≥97% , CAS No.406482-73-3

CAS: 406482-73-3 Cat. No.: C184381 Peso molecular: 223

GRADE & PURITY ≥97%

Synonyms

4'-cyano-1,1'-biphenyl-4-ylboronic acid | DTXSID60451756 | s11104 | (4'-Cyano-[1,1'-biphenyl]-4-yl)boronicacid | C13H10BNO2 | 4-Cyanobiphenylboric Acid | 4-Cyano-biphenylboric acid | SCHEMBL15333016 | [4-(4-cyanophenyl)phenyl]boronic Acid | MFCD08275641 |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

4'-cyano-1, 1'-biphenyl-4-ylboronic acid | DTXSID60451756 | s11104 | (4'-Cyano-[1, 1'-biphenyl]-4-yl)boronicacid | C13H10BNO2 | 4-Cyanobiphenylboric Acid | 4-Cyano-biphenylboric acid | SCHEMBL15333016 | [4-(4-cyanophenyl)phenyl]boronic Acid | MFCD08275641 |

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504765881
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765881
• Sonrisas canónicas: B(C1=CC=C(C=C1)C2=CC=C(C=C2)C#N)(O)O
• IUPAC Name: [4-(4-cyanophenyl)phenyl]boronic acid
• InChIKey: JYKQRYHFHIAGJD-UHFFFAOYSA-N
• INCHI: 1S/C13H10BNO2/c15-9-10-1-3-11(4-2-10)12-5-7-13(8-6-12)14(16)17/h1-8,16-17H
• Isómeros SMILES: B(C1=CC=C(C=C1)C2=CC=C(C=C2)C#N)(O)O
• Peso molecular: 223
• Reaxy-Rn: 9055863
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9055863&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenylcarbonitriles
• Alternative Parents: Benzonitriles Boronic acids Organic metalloid salts Nitriles Organometalloid compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenylcarbonitrile - Benzonitrile - Boronic acid - Boronic acid derivative - Organic metalloid salt - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Organic metalloid moeity - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as biphenylcarbonitriles. These are organic compounds containing an acetonitrile with one hydrogen replaced by a biphenyl group.
• 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

• Peso molecular: 223.040 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 223.08 Da
• Monoisotopic Mass: 223.08 Da
• Topological Polar Surface Area: 64.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 283.000
• 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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