4-Bromo-7-methoxyquinoline - ≥95% , CAS No.1070879-27-4

CAS: 1070879-27-4 Cat. No.: B586303 Fórmula: C₁₀H₈NOBr Peso molecular: 238.08 Número EC: 802-651-3

GRADE & PURITY ≥95%

Synonyms

4-Bromo-7-methoxyquinoline, AldrichCPR | AS-46503 | 1070879-27-4 | CS1278 | DTXSID00615916 | A801576 | HSLGTRSMCWHZQH-UHFFFAOYSA-N | AC-31267 | SCHEMBL2996402 | AKOS016002933 | AMY5775 | SB71595 | Z1269133362 | FT-0645726 | MFCD08063187 | SY065547 | 4-Bro

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

4-Bromo-7-methoxyquinoline, AldrichCPR | AS-46503 | 1070879-27-4 | CS1278 | DTXSID00615916 | A801576 | HSLGTRSMCWHZQH-UHFFFAOYSA-N | AC-31267 | SCHEMBL2996402 | AKOS016002933 | AMY5775 | SB71595 | Z1269133362 | FT-0645726 | MFCD08063187 | SY065547 | 4-Bro

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

Pubchem Sid

508809612

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508809612

Sonrisas canónicas

COC1=CC2=NC=CC(=C2C=C1)Br

IUPAC Name

4-bromo-7-methoxyquinoline

InChIKey

HSLGTRSMCWHZQH-UHFFFAOYSA-N

INCHI

1S/C10H8BrNO/c1-13-7-2-3-8-9(11)4-5-12-10(8)6-7/h2-6H,1H3

Isómeros SMILES

COC1=CC2=NC=CC(=C2C=C1)Br

WGK Alemania

3

CAS alternativo

1070879-27-4

Peso molecular

238.08

Reaxy-Rn

14312211

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14312211&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Haloquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Haloquinolines
• Alternative Parents: Anisoles Alkyl aryl ethers Pyridines and derivatives Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Haloquinoline - Anisole - Phenol ether - Alkyl aryl ether - Aryl bromide - Aryl halide - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Ether - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 238.080 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 236.979 Da
• Monoisotopic Mass: 236.979 Da
• Topological Polar Surface Area: 22.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 176.000
• 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