4-Chloro-8-methoxyquinoline - ≥97% , CAS No.16778-21-5

CAS: 16778-21-5 Cat. No.: C478740 Formula: C₁₀H₈ClNO Peso molecolare: 193.63 Numero EC: 632-643-3

GRADE & PURITY ≥97%

Synonyms

Quinoline, 4-chloro-8-methoxy- | STL353652 | 4-Chloro-8-methoxyquinoline | LCYDNBWXXPOMQL-UHFFFAOYSA-N | BBL027917 | EN300-67695 | FT-0618150 | AC-7289 | SY005498 | SCHEMBL2178344 | 4-Chloro-8-methoxyquinoline, AldrichCPR | MFCD00033679 | AB01541 | A18288

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

Quinoline, 4-chloro-8-methoxy- | STL353652 | 4-Chloro-8-methoxyquinoline | LCYDNBWXXPOMQL-UHFFFAOYSA-N | BBL027917 | EN300-67695 | FT-0618150 | AC-7289 | SY005498 | SCHEMBL2178344 | 4-Chloro-8-methoxyquinoline, AldrichCPR | MFCD00033679 | AB01541 | A18288

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

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

488198041

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488198041

Sorrisi canonici

COC1=CC=CC2=C(C=CN=C21)Cl

IUPAC Name

4-chloro-8-methoxyquinoline

InChIKey

LCYDNBWXXPOMQL-UHFFFAOYSA-N

INCHI

1S/C10H8ClNO/c1-13-9-4-2-3-7-8(11)5-6-12-10(7)9/h2-6H,1H3

Isomeri SMILES

COC1=CC=CC2=C(C=CN=C21)Cl

Peso molecolare

193.63

Reaxy-Rn

141431

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=141431&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: Chloroquinolines
• Alternative Parents: Anisoles Alkyl aryl ethers Pyridines and derivatives Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chloroquinoline - Anisole - Phenol ether - Alkyl aryl ether - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Ether - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 193.630 g/mol
• XLogP3: 3.000
• 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