6-Chloro-7-methylpurine - ≥95% , CAS No.5440-17-5

CAS: 5440-17-5 Cat. No.: C356132 Peso molecular: 168.59 Número EC: 695-391-3

GRADE & PURITY ≥95%

Synonyms

7H-Purine, 6-chloro-7-methyl- (9CI) | NCZREVPKGQGLFM-UHFFFAOYSA-N | SY111263 | A830158 | AMY13931 | MFCD01943043 | 6-Chloro-7-methylpurine | 7H-Purine, 6-chloro-7-methyl- | 6-chloranyl-7-methyl-purine | Z1198159264 | EN300-106046 | NSC 15192 | SCHEMBL5355

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

A useful synthetic intermediate.

Specifications

Sinónimos

7H-Purine, 6-chloro-7-methyl- (9CI) | NCZREVPKGQGLFM-UHFFFAOYSA-N | SY111263 | A830158 | AMY13931 | MFCD01943043 | 6-Chloro-7-methylpurine | 7H-Purine, 6-chloro-7-methyl- | 6-chloranyl-7-methyl-purine | Z1198159264 | EN300-106046 | NSC 15192 | SCHEMBL5355

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

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

≥95%

Nombres e identificadores

• Pubchem Sid: 488186879
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186879
• Sonrisas canónicas: CN1C=NC2=C1C(=NC=N2)Cl
• IUPAC Name: 6-chloro-7-methylpurine
• InChIKey: NCZREVPKGQGLFM-UHFFFAOYSA-N
• INCHI: 1S/C6H5ClN4/c1-11-3-10-6-4(11)5(7)8-2-9-6/h2-3H,1H3
• Isómeros SMILES: CN1C=NC2=C1C(=NC=N2)Cl
• Peso molecular: 168.59
• Reaxy-Rn: 149648
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=149648&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Purines and purine derivatives
• Alternative Parents: Halopyrimidines N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine - Halopyrimidine - Aryl chloride - Aryl halide - Pyrimidine - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Azacycle - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organohalogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole 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: Soluble in Chloroforom, Dichloromethane, DMF, DMSO, Ethyl Acetate and Methanol
• Punto de ebullición (°C): 321.7°C at 760 mmHg
• Punto de fusión (°C): 175-185° C
• Peso molecular: 168.580 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 168.02 Da
• Monoisotopic Mass: 168.02 Da
• Topological Polar Surface Area: 43.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 154.000
• 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