2,4-Bis(benzyloxy)-6-chloro-1,3,5-triazine - ≥95%(HPLC)(T) , CAS No.851030-18-7

CAS: 851030-18-7 Cat. No.: B153109 Molecular Weight: 327.77 EC Number: 811-801-7

GRADE & PURITY ≥95%(HPLC)(T)

Synonyms

BS-24153 | MFCD29089341 | 2-chloro-4,6-dibenzyloxy-1,3,5-triazine | DTXSID40827051 | 2,4-Bis(benzyloxy)-6-chloro-1,3,5-triazine | 2-chloro-4,6-bis(phenylmethoxy)-1,3,5-triazine | DBT-Cl | HY-W145630 | BJB03018 | B4587 | T71392 | 1,3,5-Triazine, 2-chloro-4

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

BS-24153 | MFCD29089341 | 2-chloro-4, 6-dibenzyloxy-1, 3, 5-triazine | DTXSID40827051 | 2, 4-Bis(benzyloxy)-6-chloro-1, 3, 5-triazine | 2-chloro-4, 6-bis(phenylmethoxy)-1, 3, 5-triazine | DBT-Cl | HY-W145630 | BJB03018 | B4587 | T71392 | 1, 3, 5-Triazine, 2-chloro-4

Specifications & Purity

≥95%(HPLC)(T)

Storage

Room temperature

Shipped In

Normal

Purity

≥95%(HPLC)(T)

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)COC2=NC(=NC(=N2)Cl)OCC3=CC=CC=C3
• IUPAC Name: 2-chloro-4,6-bis(phenylmethoxy)-1,3,5-triazine
• InChIKey: XKDFUXJROYAXAO-UHFFFAOYSA-N
• INCHI: 1S/C17H14ClN3O2/c18-15-19-16(22-11-13-7-3-1-4-8-13)21-17(20-15)23-12-14-9-5-2-6-10-14/h1-10H,11-12H2
• Isomeric SMILES: C1=CC=C(C=C1)COC2=NC(=NC(=N2)Cl)OCC3=CC=CC=C3
• Molecular Weight: 327.77
• Reaxy-Rn: 15462339
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15462339&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Triazines
      • Subclass 1,3,5-triazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Triazines
• Subclass: 1,3,5-triazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkoxy-S-triazines
• Alternative Parents: Chloro-s-triazines Alkyl aryl ethers Benzene and substituted derivatives Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkoxy-s-triazine - Alkyl aryl ether - Chloro-s-triazine - Halo-s-triazine - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Ether - Organic nitrogen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkoxy-s-triazines. These are aromatic compounds containing a 1,3,5-triazine ring that is substituted at the 2-position with an alkoxy 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

Chemical and Physical Properties

• Melt Point(°C): 66 °C
• Molecular Weight: 327.800 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 327.077 Da
• Monoisotopic Mass: 327.077 Da
• Topological Polar Surface Area: 57.100 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 306.000
• 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