4-Chloro-6-methoxyquinoline - ≥97% , CAS No.4295-04-9

CAS: 4295-04-9 Cat. No.: C589104 Molecular Weight: 193.63 EC Number: 843-427-5

GRADE & PURITY ≥97%

Synonyms

FT-0618134 | BEOVBLPXVFICSP-UHFFFAOYSA-N | MFCD00024007 | 4-Chloro-6-methoxyquinoline | 4-Chloro-6-methoxy-quinoline | DTXSID50962806 | 4-Chlor-6-methoxychinolin | SY003956 | Z431511590 | AC-3131 | AM20051178 | F2179-0005 | EN300-67691 | PS-4920 | AB01409

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

FT-0618134 | BEOVBLPXVFICSP-UHFFFAOYSA-N | MFCD00024007 | 4-Chloro-6-methoxyquinoline | 4-Chloro-6-methoxy-quinoline | DTXSID50962806 | 4-Chlor-6-methoxychinolin | SY003956 | Z431511590 | AC-3131 | AM20051178 | F2179-0005 | EN300-67691 | PS-4920 | AB01409

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light, Argon charged

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: 504757966
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757966
• Canonical Smiles: COC1=CC2=C(C=CN=C2C=C1)Cl
• IUPAC Name: 4-chloro-6-methoxyquinoline
• InChIKey: BEOVBLPXVFICSP-UHFFFAOYSA-N
• INCHI: 1S/C10H8ClNO/c1-13-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-6H,1H3
• Isomeric SMILES: COC1=CC2=C(C=CN=C2C=C1)Cl
• Alternate CAS: 4295-04-9
• NSC Number: 21207
• Molecular Weight: 193.63
• Reaxy-Rn: 133383
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=133383&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: Anisoles Alkyl aryl ethers Pyridines and derivatives Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chloroquinoline - Anisole - Alkyl aryl ether - Benzenoid - Pyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen 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

• Sensitivity: Light sensitive
• Molecular Weight: 193.630 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 193.029 Da
• Monoisotopic Mass: 193.029 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