2,4-dichloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine - ≥97% , CAS No.1012785-51-1

CAS: 1012785-51-1 Cat. No.: D171651 Peso molecular: 313.91 Número EC: 813-160-9

GRADE & PURITY ≥97%

Synonyms

1012785-51-1 | AKOS016001612 | A897205 | RIRSSBIXHXMTLS-UHFFFAOYSA-N | A1-00649 | FT-0742010 | SCHEMBL1017711 | DS-11442 | 2,4-dichloro-5-iodo-1H-pyrrolo[2,3-d]pyrimidine | SY058440 | Z1269126910 | 2,4-DICHLORO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDINE | MFCD131

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

1012785-51-1 | AKOS016001612 | A897205 | RIRSSBIXHXMTLS-UHFFFAOYSA-N | A1-00649 | FT-0742010 | SCHEMBL1017711 | DS-11442 | 2, 4-dichloro-5-iodo-1H-pyrrolo[2, 3-d]pyrimidine | SY058440 | Z1269126910 | 2, 4-DICHLORO-5-IODO-7H-PYRROLO[2, 3-D]PYRIMIDINE | MFCD131

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Argon charged

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=C(C2=C(N1)N=C(N=C2Cl)Cl)I
• IUPAC Name: 2,4-dichloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine
• InChIKey: RIRSSBIXHXMTLS-UHFFFAOYSA-N
• INCHI: 1S/C6H2Cl2IN3/c7-4-3-2(9)1-10-5(3)12-6(8)11-4/h1H,(H,10,11,12)
• Isómeros SMILES: C1=C(C2=C(N1)N=C(N=C2Cl)Cl)I
• Peso molecular: 313.91
• Reaxy-Rn: 14369598
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14369598&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolopyrimidines
      • Subclass Pyrrolo[2,3-d]pyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolopyrimidines
• Subclass: Pyrrolo[2,3-d]pyrimidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolo[2,3-d]pyrimidines
• Alternative Parents: 2-halopyrimidines Substituted pyrroles Aryl iodides Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolo[2,3-d]pyrimidine - Halopyrimidine - 2-halopyrimidine - Aryl chloride - Aryl halide - Aryl iodide - Pyrimidine - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organoiodide - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrrolo[2,3-d]pyrimidines. These are aromatic heteropolycyclic compounds containing a pyrrolo[2,3-d]pyrimidine ring system, which is an pyrrolopyrimidine isomers having the 3 ring nitrogen atoms at the 1-, 5-, and 7-positions.
• 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，light sensitive，Heat sensitive
• Peso molecular: 313.910 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 312.867 Da
• Monoisotopic Mass: 312.867 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 182.000
• 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