Nitron - ≥98%(T) , CAS No.2218-94-2

CAS: 2218-94-2 Cat. No.: N159537 Peso molecular: 312.38

GRADE & PURITY ≥98%(T)

Synonyms

1,4-Diphenyl-3-phenylamino-1,2,4-triazolium hydroxide inner salt | N0211 | Nitron | Nitron, for spectrophotometric det. of nitrate and perchlorate, >=97.0% | (5Z)-2,4-diphenyl-5-(phenylimino)-4,5-dihydro-1,2,4-triazol-2-ium-1-ide | 1,4-diphenyl-3-(phenyla

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

1, 4-Diphenyl-3-phenylamino-1, 2, 4-triazolium hydroxide inner salt | N0211 | Nitron | Nitron, for spectrophotometric det. of nitrate and perchlorate, >=97.0% | (5Z)-2, 4-diphenyl-5-(phenylimino)-4, 5-dihydro-1, 2, 4-triazol-2-ium-1-ide | 1, 4-diphenyl-3-(phenyla

Especificaciones y pureza

≥98%(T)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%(T)

Nombres e identificadores

• Pubchem Sid: 488191239
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191239
• Sonrisas canónicas: C1=CC=C(C=C1)N=C2[N-][N+](=CN2C3=CC=CC=C3)C4=CC=CC=C4
• IUPAC Name: N,1,4-triphenyl-4-aza-1-azonia-2-azanidacyclopent-5-en-3-imine
• InChIKey: CWGBFIRHYJNILV-UHFFFAOYSA-N
• INCHI: 1S/C20H16N4/c1-4-10-17(11-5-1)21-20-22-24(19-14-8-3-9-15-19)16-23(20)18-12-6-2-7-13-18/h1-16H
• Isómeros SMILES: C1=CC=C(C=C1)N=C2[N-][N+](=CN2C3=CC=CC=C3)C4=CC=CC=C4
• Peso molecular: 312.38
• Reaxy-Rn: 817210
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=817210&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Triazoles
        • Level5 Phenyltriazoles
          • Level6 Phenyl-1,2,4-triazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Triazoles
• Intermediate Tree Nodes: Phenyltriazoles
• Direct Parent: Phenyl-1,2,4-triazoles
• Alternative Parents: Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenyl-1,2,4-triazole - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive
• Punto de fusión (°C): 185-190°C
• Peso molecular: 312.400 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 312.137 Da
• Monoisotopic Mass: 312.137 Da
• Topological Polar Surface Area: 19.600 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 466.000
• 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