2,6-Di-tert-butylnaphthalene - ≥98%(GC) , CAS No.3905-64-4

CAS: 3905-64-4 Cat. No.: D155040 Peso molecular: 240.39 Beilstein Registry Number: 5(2)476 Número EC: 223-461-1

GRADE & PURITY ≥98%(GC)

Synonyms

Naphthalene,6-bis(1,1-dimethylethyl)- | 2,6-di-t-butyl-naphthalene | EINECS 223-461-1 | D2369 | NCIOpen2_005554 | FT-0635055 | Naphthalene, 2,6-bis(1,1-dimethylethyl)- | Naphthalene,6-di-tert-butyl- | W-106459 | AQ-344/43099997 | NSC 91463 | Naphthalene,

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Naphthalene, 6-bis(1, 1-dimethylethyl)- | 2, 6-di-t-butyl-naphthalene | EINECS 223-461-1 | D2369 | NCIOpen2_005554 | FT-0635055 | Naphthalene, 2, 6-bis(1, 1-dimethylethyl)- | Naphthalene, 6-di-tert-butyl- | W-106459 | AQ-344/43099997 | NSC 91463 | Naphthalene,

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488185414
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185414
• Sonrisas canónicas: CC(C)(C)C1=CC2=C(C=C1)C=C(C=C2)C(C)(C)C
• IUPAC Name: 2,6-ditert-butylnaphthalene
• InChIKey: TZGXZNWUOXLMFL-UHFFFAOYSA-N
• INCHI: 1S/C18H24/c1-17(2,3)15-9-7-14-12-16(18(4,5)6)10-8-13(14)11-15/h7-12H,1-6H3
• Isómeros SMILES: CC(C)(C)C1=CC2=C(C=C1)C=C(C=C2)C(C)(C)C
• Peso molecular: 240.39
• Beilstein: 5(2)476
• Reaxy-Rn: 2045784
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2045784&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

• Punto de fusión (°C): 148 °C
• Peso molecular: 240.400 g/mol
• XLogP3: 6.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 240.188 Da
• Monoisotopic Mass: 240.188 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 245.000
• 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. Yuanyuan Fu, Zhentao Li, Changjun Hu, Qiaoyan Li, Zilin Chen.  (2023)  In-situ immobilization of covalent organic frameworks as stationary phase for capillary electrochromatography.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:37442070] [10.1016/j.chroma.2023.464205]

2. Li Zhentao, Li Qiaoyan, Hu Zhuang, Hu Changjun, Cui Xinyue, Fu Yuanyuan, Chen Zilin.  (2022)  Determination of water in organic solvents and raw food products by fluorescence quenching of a crystalline vinyl-functionalized COF.  MICROCHIMICA ACTA,  189  (9): (1-9).  [PMID:36044086] [10.1007/s00604-022-05432-0]

3. Wu Haobo, Shen Jinyou, Wu Ruiqin, Sun Xiuyun, Li Jiansheng, Han Weiqing, Wang Lianjun.  (2016)  Biodegradation mechanism of 1H-1,2,4-triazole by a newly isolated strain Shinella sp. NJUST26.  Scientific Reports,  6  (1): (1-10).  [PMID:27436634] [10.1038/srep29675]

4. Guangli Li, Yafeng Zhang, Yonghui Xia, Tianyu Wang, Yuan Jin.  (2025)  Multiwalled carbon nanotubes decorated dandelion-like α-MnO2 microspheres for simultaneous and sensitive detection of Sunset Yellow and Tartrazine.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2025.113040]