4-chloro-6-fluoropyrido[3,4-d]pyrimidine - ≥97% , CAS No.175357-98-9

CAS: 175357-98-9 Cat. No.: C630303 Peso molecular: 183.57 PubChem CID: 10679041

GRADE & PURITY ≥97%

Synonyms

A1-01965 | Pyrido[3,4-d]pyrimidine, 4-chloro-6-fluoro- | 4-chloro-6-fluoro-pyrido[3,4-d]pyrimidine | 4-chloro-6-fluoropyrido-[3,4-d]pyrimidine | 4-CHLORO-6-FLUOROPYRIDO[3,4-D]PYRIMIDINE | 4-chloro-6-fluoropyrido[3,4-d]-pyrimidine | C7H3ClFN3 | MFCD0903787

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

A1-01965 | Pyrido[3, 4-d]pyrimidine, 4-chloro-6-fluoro- | 4-chloro-6-fluoro-pyrido[3, 4-d]pyrimidine | 4-chloro-6-fluoropyrido-[3, 4-d]pyrimidine | 4-CHLORO-6-FLUOROPYRIDO[3, 4-D]PYRIMIDINE | 4-chloro-6-fluoropyrido[3, 4-d]-pyrimidine | C7H3ClFN3 | MFCD0903787

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Desiccated

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=C2C(=CN=C1F)N=CN=C2Cl
• IUPAC Name: 4-chloro-6-fluoropyrido[3,4-d]pyrimidine
• InChIKey: MGWFUQALPUPAER-UHFFFAOYSA-N
• INCHI: 1S/C7H3ClFN3/c8-7-4-1-6(9)10-2-5(4)11-3-12-7/h1-3H
• Isómeros SMILES: C1=C2C(=CN=C1F)N=CN=C2Cl
• CAS alternativo: 175357-98-9
• PubChem CID: 10679041
• Peso molecular: 183.57

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridopyrimidines
      • Subclass Pyrido[3,4-d]pyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridopyrimidines
• Subclass: Pyrido[3,4-d]pyrimidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrido[3,4-d]pyrimidines
• Alternative Parents: Halopyrimidines 2-halopyridines Aryl fluorides Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrido[3,4-d]pyrimidine - 2-halopyridine - Halopyrimidine - Aryl chloride - Aryl fluoride - Aryl halide - Pyrimidine - Pyridine - Heteroaromatic compound - Azacycle - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrido[3,4-d]pyrimidines. These are compounds containing the pyrido[3,4-d]pyrimidine ring system, which is a pyridopyrimidine isomer with three ring nitrogen atoms at the 1-, 3-, and 7- position.
• 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

• Sensibilidad: Moisture sensitive
• Peso molecular: 183.570 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 183 Da
• Monoisotopic Mass: 183 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 169.000
• 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