8-Bromo-5-nitroquinoline - ≥95% , CAS No.139366-35-1

CAS: 139366-35-1 Cat. No.: B190815 分子式: C₉H₅BrN₂O₂ 分子量: 253.05 EC番号: 963-228-8

GRADE & PURITY ≥95%

Synonyms

W12413 | DTXSID50577156 | 8-BROMO-5-NITROQUINOLINE | 8-Bromo-5-nitro-quinoline | F2130-0061 | MFCD00509069 | FT-0714589 | LEMUPVPKQOTZAE-UHFFFAOYSA-N | SB71780 | LicarinA | SY106966 | DS-13340 | AKOS000275861 | BB 0241028 | STL559135 | SCHEMBL3189942 | EN

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

同義語

W12413 | DTXSID50577156 | 8-BROMO-5-NITROQUINOLINE | 8-Bromo-5-nitro-quinoline | F2130-0061 | MFCD00509069 | FT-0714589 | LEMUPVPKQOTZAE-UHFFFAOYSA-N | SB71780 | LicarinA | SY106966 | DS-13340 | AKOS000275861 | BB 0241028 | STL559135 | SCHEMBL3189942 | EN

仕様と純度

≥95%

保管条件

Store at 2-8°C,Protected from light

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥95%

名前と識別子

• パブケム・シド: 528762892
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/528762892
• カノニカル・スマイル: C1=CC2=C(C=CC(=C2N=C1)Br)[N+](=O)[O-]
• IUPAC Name: 8-bromo-5-nitroquinoline
• InChIKey: LEMUPVPKQOTZAE-UHFFFAOYSA-N
• INCHI: 1S/C9H5BrN2O2/c10-7-3-4-8(12(13)14)6-2-1-5-11-9(6)7/h1-5H
• 異性体SMILES: C1=CC2=C(C=CC(=C2N=C1)Br)[N+](=O)[O-]
• 分子量: 253.05
• Reaxy-Rn: 165203
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=165203&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Quinolines and derivatives
      • Subclass Nitroquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Quinolines and derivatives
• Subclass: Nitroquinolines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitroquinolines and derivatives
• Alternative Parents: Haloquinolines Nitroaromatic compounds Pyridines and derivatives Benzenoids Aryl bromides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Nitroquinoline - Haloquinoline - Nitroaromatic compound - Aryl bromide - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as nitroquinolines and derivatives. These are compounds containing a nitro group attached to a quinoline moiety.
• 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

作用メカニズム

化学的性質と物理的性質

• 感度: Light sensitive
• 分子量: 253.050 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 251.953 Da
• Monoisotopic Mass: 251.953 Da
• Topological Polar Surface Area: 58.700 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 231.000
• 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