Nitron - ≥98%(T) , CAS No.2218-94-2

CAS: 2218-94-2 Cat. No.: N159537 Formula: C₂₀H₁₆N₄ Peso molecolare: 312.38

QUALITÀ & PUREZZA ≥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

Specifiche

Sinonimi

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

Specifiche e purezza

≥98%(T)

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normal

Purezza

≥98%(T)

Nomi e identificatori

Pubchem Sid

488191239

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488191239

Sorrisi canonici

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

Isomeri SMILES

C1=CC=C(C=C1)N=C2[N-][N+](=CN2C3=CC=CC=C3)C4=CC=CC=C4

Peso molecolare

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
    • Classe Azoles
      • Subclass Triazoles
        • Level5 Phenyltriazoles
          • Level6 Phenyl-1,2,4-triazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Air Sensitive
• Punto di fusione (°C): 185-190°C
• Peso molecolare: 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