2-(3-Bromophenyl)-4,6-diphenyl-1,3,5-triazine - ≥97%(HPLC)(N) , CAS No.864377-31-1

CAS: 864377-31-1 Cat. No.: B152667 Peso molecular: 388.27 Número EC: 810-986-1

GRADE & PURITY ≥97%(HPLC)(N)

Synonyms

1,3,5-Triazine, 2-(3-bromophenyl)-4,6-diphenyl- | 2-(3-Bromophenyl)-4,6-diphenyl-1,3,5-triazine | BCP12961 | OL10193 | AC-33528 | AS-10220 | 2-(3-bromophenyl)-4,6-diphenyl-1.3.5-triazine | AMY1079 | SB66455 | DTXSID30730666 | HNZUKQQNZRMNGS-UHFFFAOYSA-N |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1, 3, 5-Triazine, 2-(3-bromophenyl)-4, 6-diphenyl- | 2-(3-Bromophenyl)-4, 6-diphenyl-1, 3, 5-triazine | BCP12961 | OL10193 | AC-33528 | AS-10220 | 2-(3-bromophenyl)-4, 6-diphenyl-1.3.5-triazine | AMY1079 | SB66455 | DTXSID30730666 | HNZUKQQNZRMNGS-UHFFFAOYSA-N |

Especificaciones y pureza

≥97%(HPLC)(N)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%(HPLC)(N)

Propiedades del producto

• pKa: 0.65±0.10

Nombres e identificadores

• Pubchem Sid: 488201956
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201956
• Sonrisas canónicas: C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC(=CC=C3)Br)C4=CC=CC=C4
• IUPAC Name: 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine
• InChIKey: HNZUKQQNZRMNGS-UHFFFAOYSA-N
• INCHI: 1S/C21H14BrN3/c22-18-13-7-12-17(14-18)21-24-19(15-8-3-1-4-9-15)23-20(25-21)16-10-5-2-6-11-16/h1-14H
• Isómeros SMILES: C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC(=CC=C3)Br)C4=CC=CC=C4
• Peso molecular: 388.27
• Reaxy-Rn: 22257189
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22257189&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Aryl bromides 1,3,5-triazines Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bromobenzene - 1,3,5-triazine - Triazine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
• 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

• Punto de ebullición (°C): 583.6±52.0 °C
• Punto de fusión (°C): 174.0 to 178.0 °C
• Peso molecular: 388.300 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 387.037 Da
• Monoisotopic Mass: 387.037 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 380.000
• 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