2-(3,5-Di-tert-butyl-2-hydroxyphenyl)-5-chlorobenzotriazole - ≥98%(HPLC) , CAS No.3864-99-1

CAS: 3864-99-1 Cat. No.: D155328 Peso molecular: 357.88 Número EC: 223-383-8

GRADE & PURITY ≥98%(HPLC)

Synonyms

3-Chloro-3-methyl-but-1-yne | BIDD:ER0467 | NSC-73749 | Tinuvin 327 | 2,4-Di-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)phenol, 98% | MFCD00009183 | 17TJE602RX | 2,4-di-tert-butyl-6-(5-chloro-2H-1,2,3-benzotriazol-2-yl)phenol | 2-(2'-hydroxy-3',5'-di-t-b

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

3-Chloro-3-methyl-but-1-yne | BIDD:ER0467 | NSC-73749 | Tinuvin 327 | 2, 4-Di-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)phenol, 98% | MFCD00009183 | 17TJE602RX | 2, 4-di-tert-butyl-6-(5-chloro-2H-1, 2, 3-benzotriazol-2-yl)phenol | 2-(2'-hydroxy-3', 5'-di-t-b

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504755184
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755184
• Sonrisas canónicas: CC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC(=CC3=N2)Cl)O)C(C)(C)C
• IUPAC Name: 2,4-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol
• InChIKey: UWSMKYBKUPAEJQ-UHFFFAOYSA-N
• INCHI: 1S/C20H24ClN3O/c1-19(2,3)12-9-14(20(4,5)6)18(25)17(10-12)24-22-15-8-7-13(21)11-16(15)23-24/h7-11,25H,1-6H3
• Isómeros SMILES: CC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC(=CC3=N2)Cl)O)C(C)(C)C
• RTECS: SK3425000
• Peso molecular: 357.88
• Reaxy-Rn: 572886
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=572886&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 Phenols 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 - Phenol - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - 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

Propiedades químicas y físicas

• Solubilidad: Soluble in Toluene
• Punto de fusión (°C): 155 °C
• Peso molecular: 357.900 g/mol
• XLogP3: 6.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 357.161 Da
• Monoisotopic Mass: 357.161 Da
• Topological Polar Surface Area: 50.900 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 473.000
• 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. Zhang Zi-Yang, Xu Yi-Heng, Chen Ke-Yan, Zhang Mei-Hang, Meng Chun-Yan, Wang Xue-Sheng, Wang Man-Man.  (2023)  Flower-like molybdenum disulfide/cobalt ferrite composite for the extraction of benzotriazole UV stabilizers in environmental samples.  MICROCHIMICA ACTA,  190  (2): (1-12).  [PMID:36700977] [10.1007/s00604-023-05658-6]

2. Xiaoyan Ouyang, Ruiyu Liang, Yuling Hu, Gongke Li, Changying Hu, Qisheng Zhong.  (2021)  Hollow tube covalent organic framework for syringe filter-based extraction of ultraviolet stabilizer in food contact materials.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:34537658] [10.1016/j.chroma.2021.462538]

3. 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]

4. Weirui Zhang, Xiaofeng Cui, Wenjing Ji, Ming Huang, Na Zhang, Liwei Mi, Xianhu Liu.  (2025)  UV-Resistant and Antierosion TPU Nanocomposite Films for Wind Turbine Blade Protection in Desert Environments.  JOURNAL OF APPLIED POLYMER SCIENCE,      [PMID:] [10.1002/app.57979]