Ethyl 4-chloroquinoline-7-carboxylate - ≥97% , CAS No.282101-16-0

CAS: 282101-16-0 Cat. No.: E192511 Formula: C₁₂H₁₀ClNO₂ Peso molecolare: 235.67

GRADE & PURITY ≥97%

Synonyms

DTXSID00708110 | AKOS016002640 | SCHEMBL6488275 | Ethyl4-chloroquinoline-7-carboxylate | SB71755 | Ethyl 4-chloroquinoline-7-carboxylate | A876763 | JWANQGUWFXQBGZ-UHFFFAOYSA-N | AS-63135

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

DTXSID00708110 | AKOS016002640 | SCHEMBL6488275 | Ethyl4-chloroquinoline-7-carboxylate | SB71755 | Ethyl 4-chloroquinoline-7-carboxylate | A876763 | JWANQGUWFXQBGZ-UHFFFAOYSA-N | AS-63135

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Sorrisi canonici

CCOC(=O)C1=CC2=NC=CC(=C2C=C1)Cl

IUPAC Name

ethyl 4-chloroquinoline-7-carboxylate

InChIKey

JWANQGUWFXQBGZ-UHFFFAOYSA-N

INCHI

1S/C12H10ClNO2/c1-2-16-12(15)8-3-4-9-10(13)5-6-14-11(9)7-8/h3-7H,2H2,1H3

Isomeri SMILES

CCOC(=O)C1=CC2=NC=CC(=C2C=C1)Cl

Peso molecolare

235.67

Reaxy-Rn

27486876

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27486876&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: Pyridines and derivatives Benzenoids Aryl chlorides Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chloroquinoline - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen 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: 235.660 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 235.04 Da
• Monoisotopic Mass: 235.04 Da
• Topological Polar Surface Area: 39.200 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 259.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 282101-16-0, the molecular formula is C12H10ClNO2, and the molecular weight is 235.67 g/mol. InChIKey JWANQGUWFXQBGZ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.