2,2'-Methylenebis[6-(benzotriazol-2-yl)-4-tert-octylphenol] - ≥98% , CAS No.103597-45-1

CAS: 103597-45-1 Cat. No.: M158087 Molecular Weight: 658.89 EC Number: 403-800-1

GRADE & PURITY ≥98%

Synonyms

AB01563348_01 | CAS-103597-45-1 | UNII-8NT850T0YS | 6,6'-Methylenebis(2-(2H-benzo[d][1,2,3]triazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol) | 2,2'-methylene-bis[4-(1,1,3,3-tetramethylbutyl)-6-benzotriazol-2-yl-phenol] | Pharmakon1600-01503866 | HMS3264

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

2,2′-Methylenebis[6-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol] is a benzotriazole based additive that is used as an ultraviolet absorber (UVA). It reduces degradation of the polymeric material by absorbing the UV radiation and converting it to thermal heat.

Specifications

Synonyms

AB01563348_01 | CAS-103597-45-1 | UNII-8NT850T0YS | 6, 6'-Methylenebis(2-(2H-benzo[d][1, 2, 3]triazol-2-yl)-4-(2, 4, 4-trimethylpentan-2-yl)phenol) | 2, 2'-methylene-bis[4-(1, 1, 3, 3-tetramethylbutyl)-6-benzotriazol-2-yl-phenol] | Pharmakon1600-01503866 | HMS3264

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Product Properties

• ALogP: 12.8

Names and Identifiers

• Pubchem Sid: 488194454
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194454
• Canonical Smiles: CC(C)(C)CC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)CC4=C(C(=CC(=C4)C(C)(C)CC(C)(C)C)N5N=C6C=CC=CC6=N5)O
• IUPAC Name: 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
• InChIKey: FQUNFJULCYSSOP-UHFFFAOYSA-N
• INCHI: 1S/C41H50N6O2/c1-38(2,3)24-40(7,8)28-20-26(36(48)34(22-28)46-42-30-15-11-12-16-31(30)43-46)19-27-21-29(41(9,10)25-39(4,5)6)23-35(37(27)49)47-44-32-17-13-14-18-33(32)45-47/h11-18,20-23,48-49H,19,24-25H2,1-10H3
• Isomeric SMILES: CC(C)(C)CC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)CC4=C(C(=CC(=C4)C(C)(C)CC(C)(C)C)N5N=C6C=CC=CC6=N5)O
• Molecular Weight: 658.89
• Reaxy-Rn: 11326835
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11326835&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Phenyl-1,2,3-triazoles Phenylpropanes Benzotriazoles Phenols Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diphenylmethane - Phenyl-1,2,3-triazole - Phenyltriazole - Benzotriazole - Phenylpropane - Phenol - Azole - Heteroaromatic compound - Triazole - 1,2,3-triazole - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water; Soluble in Tetrahydrofuran,Chloroform,Toluene; Insoluble in Acetone
• Sensitivity: Air sensitive
• Melt Point(°C): 198℃
• Molecular Weight: 658.900 g/mol
• XLogP3: 12.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 658.4 Da
• Monoisotopic Mass: 658.4 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 49
• Formal Charge: 0
• Complexity: 989.000
• 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