2-Chloro-6-methoxyquinoline-3-carboxaldehyde - ≥98% , CAS No.73568-29-3

CAS: 73568-29-3 Cat. No.: C333967 Molecular Weight: 221.63 EC Number: 626-712-7

GRADE & PURITY ≥98%

Synonyms

SB68778 | Oprea1_431129 | TZQOMBXDCIPJKW-UHFFFAOYSA-N | 2-chloro-6-methoxy-quinoline-3-carbaldehyde;2-CHLORO-6-METHOXYQUINOLINE-3-CARBALDEHYDE | EN300-16948 | MFCD00160585 | DTXSID10351035 | STK794942 | 2-Chloro-6-methoxyquinolin-3-carbaldehyde | 2-chloro

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Mainly used as solvents. They are used in intermediate steps for the production of paints, plastics, synthetic resins, and dyes. They are also used in the manufacture of perfumes, solvents, and flavorings. As raw material in organic synthesis.

Specifications

Synonyms

SB68778 | Oprea1_431129 | TZQOMBXDCIPJKW-UHFFFAOYSA-N | 2-chloro-6-methoxy-quinoline-3-carbaldehyde;2-CHLORO-6-METHOXYQUINOLINE-3-CARBALDEHYDE | EN300-16948 | MFCD00160585 | DTXSID10351035 | STK794942 | 2-Chloro-6-methoxyquinolin-3-carbaldehyde | 2-chloro

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: COC1=CC2=CC(=C(N=C2C=C1)Cl)C=O
• IUPAC Name: 2-chloro-6-methoxyquinoline-3-carbaldehyde
• InChIKey: TZQOMBXDCIPJKW-UHFFFAOYSA-N
• INCHI: 1S/C11H8ClNO2/c1-15-9-2-3-10-7(5-9)4-8(6-14)11(12)13-10/h2-6H,1H3
• Isomeric SMILES: COC1=CC2=CC(=C(N=C2C=C1)Cl)C=O
• Molecular Weight: 221.63
• Reaxy-Rn: 1457056
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1457056&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: Pyridine carboxaldehydes Anisoles Aryl-aldehydes Alkyl aryl ethers 2-halopyridines Aryl chlorides Vinylogous halides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chloroquinoline - Anisole - 3-pyridine carboxaldehyde - Alkyl aryl ether - 2-halopyridine - Aryl-aldehyde - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous halide - Ether - Azacycle - Aldehyde - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen 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

Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Cryptococcus neoformans (21258 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Molecular Weight: 221.640 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 221.024 Da
• Monoisotopic Mass: 221.024 Da
• Topological Polar Surface Area: 39.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 237.000
• 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