UV Absorber 400 - ≥85% , CAS No.153519-44-9

CAS: 153519-44-9 Cat. No.: U302981 Summenformel: C₈₁H₁₀₈N₆O₈ Molekulargewicht: 647 EG-Nummer: 604-910-4 PubChem CID: 136125637

GRADE & PURITY ≥85%

Synonyms

153519-44-9|UV-400|2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(3-dodecoxy-2-hydroxypropoxy)phenol;2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(2-hydroxy-3-tridecoxypropoxy)phenol|2-[4-[2-HYDROXY-3-TRIDECYL OXYPROPYL]OXY]-2-HYDROXYPHENYL

Storage

Room temperature

Shipped In

Normal

Übersicht

Product Describtion:

A mixture of: 2-[4-[(2-Hydroxy-3-dodecyloxypropyl)oxy]-2-hydroxyphenyl]-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine & 2-[4-[(2-Hydroxy-3-tridecyloxypropyl)oxy]-2-hydroxyphenyl]-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine .

An 85% solution of the active substance in 1-methoxy-2-propanol.

Specifications

Synonyme

153519-44-9 | UV-400 | 2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(3-dodecoxy-2-hydroxypropoxy)phenol;2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(2-hydroxy-3-tridecoxypropoxy)phenol | 2-[4-[2-HYDROXY-3-TRIDECYL OXYPROPYL]OXY]-2-HYDROXYPHENYL

Spezifikationen & Reinheit

≥85%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥85%

Namen und Kennungen

Pubchem Sid

488203013

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488203013

Kanonisches Lächeln

CCCCCCCCCCCCCOCC(COC1=CC(=C(C=C1)C2=NC(=NC(=N2)C3=C(C=C(C=C3)C)C)C4=C(C=C(C=C4)C)C)O)O.CCCCCCCCCCCCOCC(COC1=CC(=C(C=C1)C2=NC(=NC(=N2)C3=C(C=C(C=C3)C)C)C4=C(C=C(C=C4)C)C)O)O

IUPAC Name

2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(3-dodecoxy-2-hydroxypropoxy)phenol;2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(2-hydroxy-3-tridecoxypropoxy)phenol

InChIKey

NKMFBISUUNTJTA-UHFFFAOYSA-N

INCHI

1S/C41H55N3O4.C40H53N3O4/c1-6-7-8-9-10-11-12-13-14-15-16-23-47-27-33(45)28-48-34-19-22-37(38(46)26-34)41-43-39(35-20-17-29(2)24-31(35)4)42-40(44-41)36-21-18-30(3)25-32(36)5;1-6-7-8-9-10-11-12-13-14-15-22-46-26-32(44)27-47-33-18-21-36(37(45)25-33)40-42-38(34-19-16-28(2)23-30(34)4)41-39(43-40)35-20-17-29(3)24-31(35)5/h17-22,24-26,33,45-46H,6-16,23,27-28H2,1-5H3;16-21,23-25,32,44-45H,6-15,22,26-27H2,1-5H3

Isomere SMILES

CCCCCCCCCCCCCOCC(COC1=CC(=C(C=C1)C2=NC(=NC(=N2)C3=C(C=C(C=C3)C)C)C4=C(C=C(C=C4)C)C)O)O.CCCCCCCCCCCCOCC(COC1=CC(=C(C=C1)C2=NC(=NC(=N2)C3=C(C=C(C=C3)C)C)C4=C(C=C(C=C4)C)C)O)O

PubChem CID

136125637

Molekulargewicht

647

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: m-Xylenes Phenoxy compounds Glycerol ethers Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids 1,3,5-triazines Heteroaromatic compounds Secondary alcohols Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Phenoxy compound - M-xylene - Xylene - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Glycerol ether - Phenol - Alkyl aryl ether - 1,3,5-triazine - Triazine - Monocyclic benzene moiety - Heteroaromatic compound - Secondary alcohol - Azacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteromonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 1293.800 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 39
• Exact Mass: 1292.82 Da
• Monoisotopic Mass: 1292.82 Da
• Topological Polar Surface Area: 195.000 Ų
• Heavy Atom Count: 95
• Formal Charge: 0
• Complexity: 1610.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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