4-Chloro-6,7-dimethoxyquinazoline - ≥98% , CAS No.13790-39-1

CAS: 13790-39-1 Cat. No.: C123528 Peso molecular: 224.65 Número EC: 672-791-6

GRADE & PURITY ≥98%

Synonyms

BCP27482 | Quinazoline, 4-chloro-6,7-dimethoxy- | 6,7-Dimethoxy-4-chloroquinazol ine | PB21757 | 6,7-DIMETHOXY-4-CHLOROQUINAZOLINE | 6,7-dimethoxy-4-chloro-quinazoline | Z147652346 | 4-chloro-6,7dimethoxyquinazoline | 4-Chloro-6,7-dimethoxyquinazoline | 4

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

BCP27482 | Quinazoline, 4-chloro-6, 7-dimethoxy- | 6, 7-Dimethoxy-4-chloroquinazol ine | PB21757 | 6, 7-DIMETHOXY-4-CHLOROQUINAZOLINE | 6, 7-dimethoxy-4-chloro-quinazoline | Z147652346 | 4-chloro-6, 7dimethoxyquinazoline | 4-Chloro-6, 7-dimethoxyquinazoline | 4

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504761774
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761774
• Sonrisas canónicas: COC1=C(C=C2C(=C1)C(=NC=N2)Cl)OC
• IUPAC Name: 4-chloro-6,7-dimethoxyquinazoline
• InChIKey: LLLHRNQLGUOJHP-UHFFFAOYSA-N
• INCHI: 1S/C10H9ClN2O2/c1-14-8-3-6-7(4-9(8)15-2)12-5-13-10(6)11/h3-5H,1-2H3
• Isómeros SMILES: COC1=C(C=C2C(=C1)C(=NC=N2)Cl)OC
• Peso molecular: 224.65
• Reaxy-Rn: 745933
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=745933&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinazolines
• Alternative Parents: Anisoles Halopyrimidines Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazoline - Anisole - Alkyl aryl ether - Halopyrimidine - Aryl chloride - Aryl halide - Benzenoid - Pyrimidine - Heteroaromatic compound - Ether - Azacycle - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
• 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

Propiedades químicas y físicas

• Solubilidad: Insoluble in water.
• Punto de fusión (°C): 183.0-187.0°C
• Peso molecular: 224.640 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 224.035 Da
• Monoisotopic Mass: 224.035 Da
• Topological Polar Surface Area: 44.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 218.000
• 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