2-(Diphenylphosphino)benzonitrile - ≥98% , CAS No.34825-99-5

CAS: 34825-99-5 Cat. No.: D154315 Molecular Weight: 287.3 EC Number: 609-030-4

GRADE & PURITY ≥98%

Synonyms

2-diphenylphosphanylbenzonitrile | J-506401 | D90354 | SCHEMBL8468481 | Benzonitrile, 2-(diphenylphosphino)- | o-(Diphenylphosphino)benzonitrile | DTXSID60404641 | (2-Cyanophenyl)diphenylphosphine | 2-(Diphenylphosphino)benzonitrile | 2-(Diphenylphosphino

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

2-diphenylphosphanylbenzonitrile | J-506401 | D90354 | SCHEMBL8468481 | Benzonitrile, 2-(diphenylphosphino)- | o-(Diphenylphosphino)benzonitrile | DTXSID60404641 | (2-Cyanophenyl)diphenylphosphine | 2-(Diphenylphosphino)benzonitrile | 2-(Diphenylphosphino

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504763077
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763077
• Canonical Smiles: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3C#N
• IUPAC Name: 2-diphenylphosphanylbenzonitrile
• InChIKey: FEOUZPAYKDNQBW-UHFFFAOYSA-N
• INCHI: 1S/C19H14NP/c20-15-16-9-7-8-14-19(16)21(17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-14H
• Isomeric SMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3C#N
• Molecular Weight: 287.3
• Reaxy-Rn: 2983092
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2983092&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylphosphines and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylphosphines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylphosphines and derivatives
• Alternative Parents: Benzonitriles Organic phosphines and derivatives Nitriles Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenylphosphine - Benzonitrile - Phenylphosphine - Phosphine - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organophosphorus compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylphosphines and derivatives. These are compounds containing a phenylphosphine, which consists of phosphine substituent bound to a phenyl 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

Chemical and Physical Properties

• Sensitivity: Air sensitive
• Melt Point(°C): 148-152°C
• Molecular Weight: 287.300 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 287.086 Da
• Monoisotopic Mass: 287.086 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 341.000
• 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