2-(5-cloro-2-benzotriazolil)-6-terc-butil-p-cresol - ≥98%(HPLC) , CAS No.3896-11-5

CAS: 3896-11-5 Cat. No.: C153529 Peso molecular: 315.8 Número EC: 223-445-4

GRADE & PURITY ≥98%(HPLC)

Synonyms

2-(terc-Butil)-6-(5-cloro-2H-benzo[d][1,2,3]triazol-2-il)-4-metilfenol | D03174 | Tox21_112379 | 2-(3'-TERT-BUTIL-2'-HIDROXIL-5'-METIL- FENIL)-5-COLOROBENZOTRIAZOL | 2-terc-Butil-6-(5-cloro-2H-1,2,3-benzotriazol-2-il)-4-metilfenol # | 2-terc-butil

Storage

Room temperature

Shipped In

Normal

Descripción general

el 2-terc-butil-6-(5-cloro-2H-benzotriazol-2-il)-4-metilfenol (UV-326) es un absorbente de UV a base de benzotriazol que puede utilizarse en la fotoestabilización de materiales industriales. Puede absorber la dañina radiación UV para la longitud de onda de unos 290 nm.
Solubilidad en tolueno: casi transparente.

Specifications

Sinónimos

2-(terc-Butil)-6-(5-cloro-2H-benzo[d][1, 2, 3]triazol-2-il)-4-metilfenol | D03174 | Tox21_112379 | 2-(3'-TERT-BUTIL-2'-HIDROXIL-5'-METIL- FENIL)-5-COLOROBENZOTRIAZOL | 2-terc-Butil-6-(5-cloro-2H-1, 2, 3-benzotriazol-2-il)-4-metilfenol # | 2-terc-butil

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 488183585
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183585
• Sonrisas canónicas: 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
• Isómeros SMILES: CC1=CC(=C(C(=C1)N2N=C3C=CC(=CC3=N2)Cl)O)C(C)(C)C
• Peso molecular: 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
    • Clase Azoles
      • Subclass Triazoles
        • Level5 Phenyltriazoles
          • Level6 Phenyl-1,2,3-triazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Objetivos asociados (no humanos)

Plasmodium falciparum (966862 Activities)

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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 140 °C
• Peso molecular: 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

Referencias

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]