4-Chloro-7-methoxyquinoline - ≥97% , CAS No.68500-37-8

CAS: 68500-37-8 Cat. No.: C122403 Formula: C₁₀H₈ClNO Peso molecolare: 193.63 Numero EC: 676-017-8

GRADE & PURITY ≥97%

Synonyms

7-Methoxy-4-chloroquinoline | MFCD06659036 | Q-102325 | DTXSID90442394 | A9116 | AC-3133 | EN300-88493 | PB12379 | AKOS002683687 | Z414834566 | AMY325 | SCHEMBL201122 | (4-chloroquinolin-7-yl)methyl ether | UKTYNFPTZDSBLR-UHFFFAOYSA-N | SY003966 | 4-chlor

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

7-Methoxy-4-chloroquinoline | MFCD06659036 | Q-102325 | DTXSID90442394 | A9116 | AC-3133 | EN300-88493 | PB12379 | AKOS002683687 | Z414834566 | AMY325 | SCHEMBL201122 | (4-chloroquinolin-7-yl)methyl ether | UKTYNFPTZDSBLR-UHFFFAOYSA-N | SY003966 | 4-chlor

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

504765555

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504765555

Sorrisi canonici

COC1=CC2=NC=CC(=C2C=C1)Cl

IUPAC Name

4-chloro-7-methoxyquinoline

InChIKey

UKTYNFPTZDSBLR-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

COC1=CC2=NC=CC(=C2C=C1)Cl

WGK Germania

3

Peso molecolare

193.63

Reaxy-Rn

133399

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=133399&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

Obiettivi associati (umani)

BGC-823 (3035 Activities)

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DLD-1 (17511 Activities)

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RKO (1376 Activities)

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SK-OV-3 (52876 Activities)

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HCT-116 (91556 Activities)

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HepG2 (196354 Activities)

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NCI-H1650 (1118 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.62 (Predicted)
• Punto di ebollizione (°C): 299.88° C at 760 mmHg (Predicted)
• Punto di fusione (°C): 75-77° C
• Peso molecolare: 193.630 g/mol
• XLogP3: 2.900
• 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

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 68500-37-8, the molecular formula is C10H8ClNO, and the molecular weight is 193.63 g/mol. InChIKey UKTYNFPTZDSBLR-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.