4-Bromo-6-methoxyquinoline - ≥97% , CAS No.42881-66-3

CAS: 42881-66-3 Cat. No.: B479068 Formula: C₁₀H₈BrNO Peso molecolare: 238.08 Numero EC: 803-812-0

GRADE & PURITY ≥97%

Synonyms

4-bromo-6-methoxy quinoline | AS-58912 | AKOS015897073 | SY101760 | Quinoline, 4-bromo-6-methoxy- | 4-Bromo-6-methoxyquinoline, AldrichCPR | A6957 | MFCD08437074 | 4-Bromo-6-methoxyquinolin | DTXSID10457304 | SCHEMBL590225 | AB45030 | J-514781 | EN300-204

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

4-bromo-6-methoxy quinoline | AS-58912 | AKOS015897073 | SY101760 | Quinoline, 4-bromo-6-methoxy- | 4-Bromo-6-methoxyquinoline, AldrichCPR | A6957 | MFCD08437074 | 4-Bromo-6-methoxyquinolin | DTXSID10457304 | SCHEMBL590225 | AB45030 | J-514781 | EN300-204

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

504766099

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504766099

Sorrisi canonici

COC1=CC2=C(C=CN=C2C=C1)Br

IUPAC Name

4-bromo-6-methoxyquinoline

InChIKey

HRFFYKLVLCFCQG-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

COC1=CC2=C(C=CN=C2C=C1)Br

Peso molecolare

238.08

Reaxy-Rn

133384

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=133384&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
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 238.080 g/mol
• XLogP3: 2.900
• 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