Nitron - ≥98%(T) , CAS No.2218-94-2

CAS: 2218-94-2 Cat. No.: N159537 分子式: C₂₀H₁₆N₄ 分子量: 312.38

グレード＆純度 ≥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

仕様

同義語

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

仕様と純度

≥98%(T)

保管条件

Argon charged,Room temperature

入荷

Normal

純度

≥98%(T)

名前と識別子

パブケム・シド

488191239

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

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

分子量

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• 感度: Air Sensitive
• 融点（°C）: 185-190°C
• 分子量: 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