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

CAS: 153519-44-9 Cat. No.: U302981 Molecular Weight: 647 EC Number: 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

Overview

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

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

Specifications & Purity

≥85%

Storage

Room temperature

Shipped In

Normal

Purity

≥85%

Names and Identifiers

• Pubchem Sid: 488203013
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488203013
• Canonical 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
• 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
• Isomeric 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
• Molecular Weight: 647

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: 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
• 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

• Molecular Weight: 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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