2-(5-Chloro-2-benzotriazolyl)-6-tert-butyl-p-cresol - ≥98%(HPLC) , CAS No.3896-11-5

CAS: 3896-11-5 Cat. No.: C153529 Molecular Weight: 315.8 EC Number: 223-445-4

GRADE & PURITY ≥98%(HPLC)

Synonyms

2-(tert-Butyl)-6-(5-chloro-2H-benzo[d][1,2,3]triazol-2-yl)-4-methylphenol | D03174 | Tox21_112379 | 2-(3'-TERT-BUTYL-2'-HYDROXY-5'-METHYL- PHENYL)-5-CHLOROBENZOTRIAZOLE | 2-tert-Butyl-6-(5-chloro-2H-1,2,3-benzotriazol-2-yl)-4-methylphenol # | 2-tert-butyl

Storage

Room temperature

Shipped In

Normal

Overview

2-tert-Butyl-6-(5-chloro-2H-benzotriazol-2-yl)-4-methylphenol (UV-326) is a benzotriazole based UV absorber that can be used in the photostabilization of industrial materials. It can absorb the harmful UV radiation for the wavelength of about 290 nm.
Solubility in Toluene:within almost transparency.

Specifications

Synonyms

2-(tert-Butyl)-6-(5-chloro-2H-benzo[d][1, 2, 3]triazol-2-yl)-4-methylphenol | D03174 | Tox21_112379 | 2-(3'-TERT-BUTYL-2'-HYDROXY-5'-METHYL- PHENYL)-5-CHLOROBENZOTRIAZOLE | 2-tert-Butyl-6-(5-chloro-2H-1, 2, 3-benzotriazol-2-yl)-4-methylphenol # | 2-tert-butyl

Specifications & Purity

≥98%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488183585
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183585
• Canonical Smiles: CC1=CC(=C(C(=C1)N2N=C3C=CC(=CC3=N2)Cl)O)C(C)(C)C
• IUPAC Name: 2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-methylphenol
• InChIKey: OCWYEMOEOGEQAN-UHFFFAOYSA-N
• INCHI: 1S/C17H18ClN3O/c1-10-7-12(17(2,3)4)16(22)15(8-10)21-19-13-6-5-11(18)9-14(13)20-21/h5-9,22H,1-4H3
• Isomeric SMILES: CC1=CC(=C(C(=C1)N2N=C3C=CC(=CC3=N2)Cl)O)C(C)(C)C
• Molecular Weight: 315.8
• Reaxy-Rn: 623910
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=623910&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Triazoles
        • Level5 Phenyltriazoles
          • Level6 Phenyl-1,2,3-triazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Triazoles
• Intermediate Tree Nodes: Phenyltriazoles
• Direct Parent: Phenyl-1,2,3-triazoles
• Alternative Parents: Phenylpropanes Benzotriazoles Para cresols Toluenes Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenyl-1,2,3-triazole - Benzotriazole - Phenylpropane - P-cresol - Toluene - Phenol - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenyl-1,2,3-triazoles. These are organic compounds containing a 1,2,3-triazole substituted by a phenyl 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

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 140 °C
• Molecular Weight: 315.800 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 315.114 Da
• Monoisotopic Mass: 315.114 Da
• Topological Polar Surface Area: 50.900 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 400.000
• 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

References

1. Li Wang, Ning Wang, Longxuan Yan, Yao Ma, Zhaofa Zhang, Sen Shi, Lanjie Niu, Xiangyang Li, Bingheng Lu.  (2023)  High performance X-band electromagnetic wave absorption of SiBCN metamaterials fabricated by direct pyrolysis.  JOURNAL OF THE EUROPEAN CERAMIC SOCIETY,      [PMID:] [10.1016/j.jeurceramsoc.2023.02.065]

2. Xiaoxiao Chen, Qianyi Huang, Rui Hou, Shan Liu, Hengxiang Li, Tiantian Chen, Xiangrong Xu.  (2025)  Benzotriazole (BT) and benzothiazole (BTH) derivatives as emerging marine pollutants in the Pearl River Estuary: Spatiotemporal distribution, environmental fates, and ecological risks.  ENVIRONMENTAL POLLUTION,      [PMID:40675245] [10.1016/j.envpol.2025.126840]