2-[1,1'-Biphenyl]-4-yl-4-chloro-6-phenyl-1,3,5-triazine - ≥99% , CAS No.1472062-94-4

CAS: 1472062-94-4 Cat. No.: B399737 Molecular Weight: 343.81 EC Number: 878-389-9

GRADE & PURITY ≥99%

Synonyms

AKOS027252156 | AS-70288 | SCHEMBL16332656 | XIC06294 | 2-(4-Biphenylyl)-4-chloro-6-phenyl-1,3,5-triazine | 1,3,5-Triazine, 2-[1,1'-biphenyl]-4-yl-4-chloro-6-phenyl- | A852897 | FT-0754497 | B5792 | AMY37890 | OL10195 | SY122040 | SB22146 | 2-([1,1'-Biphe

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

AKOS027252156 | AS-70288 | SCHEMBL16332656 | XIC06294 | 2-(4-Biphenylyl)-4-chloro-6-phenyl-1, 3, 5-triazine | 1, 3, 5-Triazine, 2-[1, 1'-biphenyl]-4-yl-4-chloro-6-phenyl- | A852897 | FT-0754497 | B5792 | AMY37890 | OL10195 | SY122040 | SB22146 | 2-([1, 1'-Biphe

Specifications & Purity

≥99%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488202633
• Canonical Smiles: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC(=N3)C4=CC=CC=C4)Cl
• IUPAC Name: 2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
• InChIKey: JKHCVYDYGWHIFJ-UHFFFAOYSA-N
• INCHI: 1S/C21H14ClN3/c22-21-24-19(17-9-5-2-6-10-17)23-20(25-21)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14H
• Isomeric SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC(=N3)C4=CC=CC=C4)Cl
• Molecular Weight: 343.81
• Reaxy-Rn: 27679416
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27679416&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Triazines
      • Subclass 1,3,5-triazines
        • Level5 Halo-S-triazines
          • Level6 Chloro-s-triazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Triazines
• Subclass: 1,3,5-triazines
• Intermediate Tree Nodes: Halo-S-triazines
• Direct Parent: Chloro-s-triazines
• Alternative Parents: Benzene and substituted derivatives Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Chloro-s-triazine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as chloro-s-triazines. These are aromatic compounds containing a 1,3,5-triazine ring that is substituted at the 2-position with a chlorine atom.
• 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

Chemical and Physical Properties

• Solubility: Slightly soluble (5.8E-5 g/L) (25 ºC)
• Sensitivity: air sensitive
• Melt Point(°C): 163.0 to 167.0 °C
• Molecular Weight: 343.800 g/mol
• XLogP3: 5.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 343.088 Da
• Monoisotopic Mass: 343.088 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 398.000
• 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