3-Bromo-2-iodoquinoline - ≥97% , CAS No.898559-23-4

CAS: 898559-23-4 Cat. No.: B469823 Fórmula: C₉H₅BrIN Peso molecular: 333.95 Número CE: 685-064-3

GRADE & PURITY ≥97%

Synonyms

AKOS025394907 | SB72182 | MFCD16621398 | 3-Bromo-2-iodoquinoline | F30333 | YKB55923 | EN300-268014 | SCHEMBL1258641 | DTXSID10708025 | 3-Bromo-2-iodoquinoline, 97% | bromo-iodoquinoline

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS025394907 | SB72182 | MFCD16621398 | 3-Bromo-2-iodoquinoline | F30333 | YKB55923 | EN300-268014 | SCHEMBL1258641 | DTXSID10708025 | 3-Bromo-2-iodoquinoline, 97% | bromo-iodoquinoline

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Protected from light,Argon charged,Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

504771301

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504771301

Sorrisos canónicos

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

IUPAC Name

3-bromo-2-iodoquinoline

InChIKey

JOMFAVRBFOBWQA-UHFFFAOYSA-N

INCHI

1S/C9H5BrIN/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5H

SMILES isoméricas

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

WGK Alemanha

3

Peso molecular

333.95

Reaxy-Rn

10533429

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10533429&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Haloquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Haloquinolines
• Alternative Parents: Polyhalopyridines 2-halopyridines Benzenoids Aryl iodides Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Haloquinoline - Polyhalopyridine - 2-halopyridine - Aryl bromide - Aryl halide - Aryl iodide - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organoiodide - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Sensibilidade: light sensitive；air sensitive
• Ponto de ebulição (°C): > 200 °C 在 760 mmHg
• Ponto de fusão (°C): 117 - 123 °C
• Peso molecular: 333.950 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 332.865 Da
• Monoisotopic Mass: 332.865 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 165.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 898559-23-4, the molecular formula is C9H5BrIN, and the molecular weight is 333.95 g/mol. InChIKey JOMFAVRBFOBWQA-UHFFFAOYSA-N.

How should this product be stored?

Store at room temperature, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.