2,3-dibromoquinoline - ≥97% , CAS No.13721-00-1

CAS: 13721-00-1 Cat. No.: D635583 分子式: C₉H₅Br₂N 分子量: 286.95 EC番号: 864-010-4 PubChem CID: 817315

GRADE & PURITY ≥97%

Synonyms

MFCD00234472 | Quinoline, 2,3-dibromo- | BB 0262003 | SCHEMBL2596089 | Methyl3-Bromoindole-5-carboxylate | dibromoquinoline | AM20061796 | DS-1035 | 2,3-dibromoquinoline | EN300-258135 | PB24640 | AKOS015835741 | SY069024 | W-205498 | FT-0609530

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

同義語

MFCD00234472 | Quinoline, 2,3-dibromo- | BB 0262003 | SCHEMBL2596089 | Methyl3-Bromoindole-5-carboxylate | dibromoquinoline | AM20061796 | DS-1035 | 2,3-dibromoquinoline | EN300-258135 | PB24640 | AKOS015835741 | SY069024 | W-205498 | FT-0609530

仕様と純度

≥97%

保管条件

Store at 2-8°C

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

≥97%

名前と識別子

カノニカル・スマイル

C1=CC=C2C(=C1)C=C(C(=N2)Br)Br

IUPAC Name

2,3-dibromoquinoline

InChIKey

KWVPZTJLHQKCKD-UHFFFAOYSA-N

INCHI

1S/C9H5Br2N/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5H

異性体SMILES

C1=CC=C2C(=C1)C=C(C(=N2)Br)Br

代替CAS番号

13721-00-1

PubChem CID

817315

分子量

286.95

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Quinolines and derivatives
• Subclass: Haloquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Haloquinolines
• Alternative Parents: Polyhalopyridines 2-halopyridines Benzenoids Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Haloquinoline - Polyhalopyridine - 2-halopyridine - Benzenoid - Pyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as haloquinolines. These are compounds containing a quinoline moiety, which is substituted at one or more ring positions by n halogen atom.
• 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

化学的性質と物理的性質

• 分子量: 286.950 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 286.877 Da
• Monoisotopic Mass: 284.879 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 163.000
• 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