GRADE & PURITY ≥98%

Synonyms

.alpha.,.alpha.-Diphenylpropionitrile | UNII-YKT998Y6UZ | MFCD00001846 | 2,2-Diphenylpropanenitrile | InChI=1/C15H13N/c1-15(12-16,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H | HMS1741N18 | N-2,4-DNP-DL-METHIONINESULFOXIDE | 1,1-Diphenylethyl Cyanide | FT-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

.alpha., .alpha.-Diphenylpropionitrile | UNII-YKT998Y6UZ | MFCD00001846 | 2, 2-Diphenylpropanenitrile | InChI=1/C15H13N/c1-15(12-16, 13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H, 1H | HMS1741N18 | N-2, 4-DNP-DL-METHIONINESULFOXIDE | 1, 1-Diphenylethyl Cyanide | FT-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488185760
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185760
• Sonrisas canónicas: CC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2
• IUPAC Name: 2,2-diphenylpropanenitrile
• InChIKey: DPVHBXFSKLKYIQ-UHFFFAOYSA-N
• INCHI: 1S/C15H13N/c1-15(12-16,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3
• Isómeros SMILES: CC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2
• Peso molecular: 207.28
• Beilstein: 9(4)2537
• Reaxy-Rn: 1955952
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1955952&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylacetonitriles
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylacetonitriles
• Alternative Parents: Diphenylmethanes Nitriles Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylacetonitrile - Diphenylmethane - 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 diphenylacetonitriles. These are cyclic aromatic compounds containing a diphenylacetonitrile moiety, which consists of a diphenylmethane linked to and acetonitrile to form 2,2-diphenylacetonitrile.
• 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

• Índice de refracción: 1.57
• Punto de inflamación (°F): 230°F
• Punto de inflamación (°C): >110°C
• Punto de ebullición (°C): 142°C/2mmHg(lit.)
• Peso molecular: 207.270 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 207.105 Da
• Monoisotopic Mass: 207.105 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 242.000
• 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