6-Chloro-4-iodo-1H-indazole - ≥97% , CAS No.885519-56-2

CAS: 885519-56-2 Cat. No.: C177959 Peso molecular: 278.48

GRADE & PURITY ≥97%

Synonyms

SB11308 | AKOS016001343 | CZQKFAYNSDDHKA-UHFFFAOYSA-N | A861813 | SY019144 | 6-Chloro-4-iodo-1H-indazole | 1H-Indazole,6-chloro-4-iodo- | DS-2163 | 6-Chloro-4-iodo-1H-indazole, AldrichCPR | 1H-Indazole,6-chloro-4-iodo; RW3742; | AMY2734 | FT-0763527 | MFC

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Sinónimos

SB11308 | AKOS016001343 | CZQKFAYNSDDHKA-UHFFFAOYSA-N | A861813 | SY019144 | 6-Chloro-4-iodo-1H-indazole | 1H-Indazole, 6-chloro-4-iodo- | DS-2163 | 6-Chloro-4-iodo-1H-indazole, AldrichCPR | 1H-Indazole, 6-chloro-4-iodo; RW3742; | AMY2734 | FT-0763527 | MFC

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice

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(C=C(C2=C1NN=C2)I)Cl
• IUPAC Name: 6-chloro-4-iodo-1H-indazole
• InChIKey: CZQKFAYNSDDHKA-UHFFFAOYSA-N
• INCHI: 1S/C7H4ClIN2/c8-4-1-6(9)5-3-10-11-7(5)2-4/h1-3H,(H,10,11)
• Isómeros SMILES: C1=C(C=C(C2=C1NN=C2)I)Cl
• Peso molecular: 278.48
• Reaxy-Rn: 20834258
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20834258&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzopyrazoles
      • Subclass Indazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzopyrazoles
• Subclass: Indazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indazoles
• Alternative Parents: Benzenoids Aryl iodides Aryl chlorides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzopyrazole - Indazole - Aryl chloride - Aryl halide - Aryl iodide - Benzenoid - Heteroaromatic compound - Azole - Pyrazole - Azacycle - Organohalogen compound - Organoiodide - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organochloride - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.
• 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: light sensitive
• Peso molecular: 278.480 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 277.911 Da
• Monoisotopic Mass: 277.911 Da
• Topological Polar Surface Area: 28.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 155.000
• 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