2-[4-[4-(cyanomethyl)phenyl]phenyl]acetonitrile - ≥98% , CAS No.7255-83-6

CAS: 7255-83-6 Cat. No.: B304482 Peso molecular: 232.28

GRADE & PURITY ≥98%

Synonyms

2-[4-[4-(cyanomethyl)phenyl]phenyl]acetonitrile | 2,2'-([1,1'-Biphenyl]-4,4'-diyl)diacetonitrile | NSC74108 | NSC-74108 | AS-58994 | 2-[4'-(cyanomethyl)-[1,1'-biphenyl]-4-yl]acetonitrile | AKOS037645239 | YSZC051 | (4'-Cyanomethyl-biphenyl-4-yl)-acetonitr

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

2-[4-[4-(cyanomethyl)phenyl]phenyl]acetonitrile | 2, 2'-([1, 1'-Biphenyl]-4, 4'-diyl)diacetonitrile | NSC74108 | NSC-74108 | AS-58994 | 2-[4'-(cyanomethyl)-[1, 1'-biphenyl]-4-yl]acetonitrile | AKOS037645239 | YSZC051 | (4'-Cyanomethyl-biphenyl-4-yl)-acetonitr

Especificaciones y pureza

≥98%

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

≥98%

Nombres e identificadores

• Pubchem Sid: 504758120
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758120
• Sonrisas canónicas: C1=CC(=CC=C1CC#N)C2=CC=C(C=C2)CC#N
• IUPAC Name: 2-[4-[4-(cyanomethyl)phenyl]phenyl]acetonitrile
• InChIKey: GICPRLWIFVXEPU-UHFFFAOYSA-N
• INCHI: 1S/C16H12N2/c17-11-9-13-1-5-15(6-2-13)16-7-3-14(4-8-16)10-12-18/h1-8H,9-10H2
• Isómeros SMILES: C1=CC(=CC=C1CC#N)C2=CC=C(C=C2)CC#N
• Peso molecular: 232.28
• Reaxy-Rn: 2103233
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2103233&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: Biphenyls and derivatives
• Alternative Parents: Benzyl cyanides Nitriles Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Benzyl-cyanide - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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 inflamación (°C): 216.9℃
• Punto de ebullición (°C): 444.2℃ at 760 mmHg
• Peso molecular: 232.280 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 232.1 Da
• Monoisotopic Mass: 232.1 Da
• Topological Polar Surface Area: 47.600 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 304.000
• 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