5-(4'-Methyl-[1,1'-biphenyl]-2-yl)-1-trityl-1H-tetrazole - ≥97% , CAS No.124750-53-4

CAS: 124750-53-4 Cat. No.: M586767 Peso molecular: 478.59

GRADE & PURITY ≥97%

Synonyms

CHEBI:34559 | J-516266 | 4-Methyl-2'-(triphenylmethyltetrazol-5-yl)biphenyl | N-TRIPHENYLMETHYL-5-(4'-METHYLBIPHENYL-2-YL) TETRAZOLE | 5-[4'-Methyl (1,1'-biphenyl)-2-yl]-1-triphenylmethyl-tetrazole | DTXSID20436185 | NCIOpen2_000914 | N-(Triphenylmethyl)-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

CHEBI:34559 | J-516266 | 4-Methyl-2'-(triphenylmethyltetrazol-5-yl)biphenyl | N-TRIPHENYLMETHYL-5-(4'-METHYLBIPHENYL-2-YL) TETRAZOLE | 5-[4'-Methyl (1, 1'-biphenyl)-2-yl]-1-triphenylmethyl-tetrazole | DTXSID20436185 | NCIOpen2_000914 | N-(Triphenylmethyl)-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

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

• Sonrisas canónicas: CC1=CC=C(C=C1)C2=CC=CC=C2C3=NN=NN3C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
• IUPAC Name: 5-[2-(4-methylphenyl)phenyl]-1-trityltetrazole
• InChIKey: ZSBYTGRKIKIRRJ-UHFFFAOYSA-N
• INCHI: 1S/C33H26N4/c1-25-21-23-26(24-22-25)30-19-11-12-20-31(30)32-34-35-36-37(32)33(27-13-5-2-6-14-27,28-15-7-3-8-16-28)29-17-9-4-10-18-29/h2-24H,1H3
• Isómeros SMILES: CC1=CC=C(C=C1)C2=CC=CC=C2C3=NN=NN3C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
• Peso molecular: 478.59
• Reaxy-Rn: 4337039
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4337039&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Triphenyl compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenyl compounds
• Alternative Parents: Biphenyls and derivatives Phenyltetrazoles and derivatives Toluenes Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Triphenyl compound - Biphenyl - Phenyltetrazole - Toluene - Monocyclic benzene moiety - Heteroaromatic compound - Tetrazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as triphenyl compounds. These are aromatic compounds containing a triphenyl moiety.
• 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: 478.600 g/mol
• XLogP3: 8.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 478.216 Da
• Monoisotopic Mass: 478.216 Da
• Topological Polar Surface Area: 43.600 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 639.000
• 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