3-Bromo-4-chloro-6-methoxyquinoline - ≥97% , CAS No.1203579-29-6

CAS: 1203579-29-6 Cat. No.: B166471 Molecular Weight: 272.53 EC Number: 802-578-7

GRADE & PURITY ≥97%

Synonyms

3-Bromo-4-chloro-6-methoxyquinoline, AldrichCPR | DTXSID90671162 | 3-Bromo-4-chloro-6-methoxyquinoline | D95586 | FT-0708431 | SB68658 | 1203579-29-6 | AML0037 | MFCD13192951

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

3-Bromo-4-chloro-6-methoxyquinoline, AldrichCPR | DTXSID90671162 | 3-Bromo-4-chloro-6-methoxyquinoline | D95586 | FT-0708431 | SB68658 | 1203579-29-6 | AML0037 | MFCD13192951

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504770614
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770614
• Canonical Smiles: COC1=CC2=C(C(=CN=C2C=C1)Br)Cl
• IUPAC Name: 3-bromo-4-chloro-6-methoxyquinoline
• InChIKey: JPJOZOXSMAFCSD-UHFFFAOYSA-N
• INCHI: 1S/C10H7BrClNO/c1-14-6-2-3-9-7(4-6)10(12)8(11)5-13-9/h2-5H,1H3
• Isomeric SMILES: COC1=CC2=C(C(=CN=C2C=C1)Br)Cl
• WGK Germany: 3
• UN Number: 2923
• Packing Group: III
• Molecular Weight: 272.53
• Reaxy-Rn: 30994719
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30994719&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Haloquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Chloroquinolines
• Alternative Parents: Polyhalopyridines Anisoles Alkyl aryl ethers Aryl chlorides Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chloroquinoline - Anisole - Phenol ether - Polyhalopyridine - Alkyl aryl ether - Aryl bromide - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as chloroquinolines. These are compounds containing a quinoline moiety, which carries one or more chlorine atoms.
• 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

Chemical and Physical Properties

• Molecular Weight: 272.520 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 270.94 Da
• Monoisotopic Mass: 270.94 Da
• Topological Polar Surface Area: 22.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 205.000
• 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