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

CAS: 1070879-27-4 Cat. No.: B586303 Formule: C₁₀H₈NOBr Poids moléculaire: 238.08 Numéro CE: 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

Synonymes

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

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

• Pubchem Sid: 508809612
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508809612
• Sourires canoniques: 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
• Isomères SMILES: COC1=CC2=NC=CC(=C2C=C1)Br
• WGK Allemagne: 3
• CAS alternatif: 1070879-27-4
• Poids moléculaire: 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
    • 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: 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
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 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