2-(4,6-Diphenyl-1,3,5-triazin-2-yl)-5-[(hexyl)oxy]-phenol - ≥99% , CAS No.147315-50-2

CAS: 147315-50-2 Cat. No.: D302922 Molecular Weight: 425.52 EC Number: 411-380-6

GRADE & PURITY ≥99%

Synonyms

147315-50-2|2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(hexyloxy)phenol|2-(4,6-Diphenyl-1,3,5-triazin-2-yl)-5-[(hexyl)oxy]-phenol|Tinuvin 1577|UV-1577|302PHN0JBS|2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-hexoxyphenol|2-(2-hydroxy-4-hexyloxyphenyl)-4,6-diphenyl-1,3

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

147315-50-2 | 2-(4, 6-diphenyl-1, 3, 5-triazin-2-yl)-5-(hexyloxy)phenol | 2-(4, 6-Diphenyl-1, 3, 5-triazin-2-yl)-5-[(hexyl)oxy]-phenol | Tinuvin 1577 | UV-1577 | 302PHN0JBS | 2-(4, 6-diphenyl-1, 3, 5-triazin-2-yl)-5-hexoxyphenol | 2-(2-hydroxy-4-hexyloxyphenyl)-4, 6-diphenyl-1, 3

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488195049
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195049
• Canonical Smiles: CCCCCCOC1=CC(=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)O
• IUPAC Name: 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-hexoxyphenol
• InChIKey: LEVFXWNQQSSNAC-UHFFFAOYSA-N
• INCHI: 1S/C27H27N3O2/c1-2-3-4-11-18-32-22-16-17-23(24(31)19-22)27-29-25(20-12-7-5-8-13-20)28-26(30-27)21-14-9-6-10-15-21/h5-10,12-17,19,31H,2-4,11,18H2,1H3
• Isomeric SMILES: CCCCCCOC1=CC(=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)O
• Molecular Weight: 425.52
• Reaxy-Rn: 9294274
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9294274&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids 1,3,5-triazines Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - 1,3,5-triazine - Triazine - Heteroaromatic compound - Ether - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with 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

Chemical and Physical Properties

• Melt Point(°C): 147-149℃
• Molecular Weight: 425.500 g/mol
• XLogP3: 6.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 425.21 Da
• Monoisotopic Mass: 425.21 Da
• Topological Polar Surface Area: 68.100 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 495.000
• 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