2-Bromonaphthalene - ≥98% , CAS No.580-13-2

CAS: 580-13-2 Cat. No.: B122362 Formula: C₁₀H₇Br Peso molecolare: 207.07 Beilstein Registry Number: 1858110 Numero EC: 209-452-5

GRADE & PURITY ≥98%

Synonyms

Z166622678 | AKOS000121092 | Q27289466 | Naphthalene, 2-bromo- | MFCD00004051 | 2-BROMONAPHTHALENE | 2-Bromo-naphthalene | 2-bromonaphtalene | DTXSID3060378 | 2-Bromonaphthalene, 97% | B0619 | STR03261 | BDBM50159272 | NSC 4011 | 2-BROMO NAPHTHALCNE | bet

Storage

Room temperature

Shipped In

Normal

Panoramica

Reaction of 2-bromonaphthalene with cuprous cyanide in N-methylpyrrolidone has been investigated.Nanosecond time-resolved resonance Raman spectra of the T1→Tn transition of 2-bromonaphthalene in methanol solvent has been investigated.
2-Bromonaphthalene was used in the synthesis of biaryls via Suzuki cross coupling reaction in water under microwave irradiation.

Specifications

Sinonimi

Z166622678 | AKOS000121092 | Q27289466 | Naphthalene, 2-bromo- | MFCD00004051 | 2-BROMONAPHTHALENE | 2-Bromo-naphthalene | 2-bromonaphtalene | DTXSID3060378 | 2-Bromonaphthalene, 97% | B0619 | STR03261 | BDBM50159272 | NSC 4011 | 2-BROMO NAPHTHALCNE | bet

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488181318
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181318
• Sorrisi canonici: C1=CC=C2C=C(C=CC2=C1)Br
• IUPAC Name: 2-bromonaphthalene
• InChIKey: APSMUYYLXZULMS-UHFFFAOYSA-N
• INCHI: 1S/C10H7Br/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
• Isomeri SMILES: C1=CC=C2C=C(C=CC2=C1)Br
• WGK Germania: 3
• Peso molecolare: 207.07
• Beilstein: 1858110
• Reaxy-Rn: 1858110
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1858110&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homopolycyclic compound
• Descrizione: 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

Obiettivi associati (umani)

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CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)

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Obiettivi associati (non umani)

Cyp2a5 Cytochrome P450 2A5 (126 Activities)

Discover Target: Cyp2a5

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Slightly soluble in water.
• Punto di infiammabilità (°F): 235.4 °F
• Punto di infiammabilità (°C): 112°(233°F)
• Punto di ebollizione (°C): 281～282°C
• Punto di fusione (°C): 54-58°C
• Peso molecolare: 207.070 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 205.973 Da
• Monoisotopic Mass: 205.973 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 133.000
• 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

Riferimenti

1. Wei He, Xiya Yang, Jialong Duan, Junshuai Zhang, Qiyao Guo, Hao Huang, Qunwei Tang.  (2023)  Liquid buried interface to slide lattice and heal defects in inorganic perovskite solar cells.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:37229987] [10.1016/j.jcis.2023.05.135]

2. Qiyao Guo, Jialong Duan, Junshuai Zhang, Qiaoyu Zhang, Yanyan Duan, Xiya Yang, Benlin He, Yuanyuan Zhao, Qunwei Tang.  (2022)  Universal Dynamic Liquid Interface for Healing Perovskite Solar Cells.  ADVANCED MATERIALS,  34  (26): (2202301).  [PMID:35460143] [10.1002/adma.202202301]

3. Qinrui Fu, Yuan Meng, Zilin Fang, Quanqin Hu, Liang Xu, Wenhua Gao, Xiaochun Huang, Qiao Xue, Ya-Ping Sun, Fushen Lu.  (2017)  Boron Nitride Nanosheet-Anchored Pd–Fe Core–Shell Nanoparticles as Highly Efficient Catalysts for Suzuki–Miyaura Coupling Reactions.  ACS Applied Materials & Interfaces,      [PMID:28051299] [10.1021/acsami.6b13570]

4. Xiang Han, Lei Zhao, Dong-En Wang, Juan Xu, Longlong Zhang, Mao-Sen Yuan, Qin Tu, Jinyi Wang.  (2015)  A TBET-based ratiometric probe for Au3+ and its application in living cells.  ANALYST,  141  (3): (1098-1104).  [PMID:26662283] [10.1039/C5AN01932J]