5-bromo-3-fluoropiridin-2-amina - ≥98% , CAS No.748812-37-5

CAS: 748812-37-5 Cat. No.: B177355 Peso molecular: 191.001 Número EC: 835-182-8

GRADE & PURITY ≥98%

Synonyms

AM62485 | A850117 | SCHEMBL502604 | 5-bromo-3-fluoro-2-pyridinamine | SB18619 | BBL103622 | SY014399 | EN300-117728 | STL557432 | 2-AMINO-5-BROMO-3-FLUOROPYRIDINE | Z1255491677 | AKOS005063874 | DTXSID00678869 | 5-Bromo-3-fluoropyridin-2-amine | QLXASFJHU

Storage

Temperatura ambiente, cargado con argón

Shipped In

Normal

Specifications

Sinónimos

AM62485 | A850117 | SCHEMBL502604 | 5-bromo-3-fluoro-2-pyridinamine | SB18619 | BBL103622 | SY014399 | EN300-117728 | STL557432 | 2-AMINO-5-BROMO-3-FLUOROPYRIDINE | Z1255491677 | AKOS005063874 | DTXSID00678869 | 5-Bromo-3-fluoropyridin-2-amine | QLXASFJHU

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Temperatura ambiente, cargado con argón

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488201447
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201447
• Sonrisas canónicas: C1=C(C=NC(=C1F)N)Br
• IUPAC Name: 5-bromo-3-fluoropyridin-2-amine
• InChIKey: QLXASFJHUCKEHU-UHFFFAOYSA-N
• INCHI: 1S/C5H4BrFN2/c6-3-1-4(7)5(8)9-2-3/h1-2H,(H2,8,9)
• Isómeros SMILES: C1=C(C=NC(=C1F)N)Br
• Peso molecular: 191.001
• Reaxy-Rn: 9695150
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9695150&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Halopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Polyhalopyridines
• Alternative Parents: Aminopyridines and derivatives Imidolactams Aryl fluorides Aryl bromides Heteroaromatic compounds Azacyclic compounds Primary amines Organofluorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - Aminopyridine - Aryl bromide - Aryl fluoride - Aryl halide - Imidolactam - Heteroaromatic compound - Azacycle - Primary amine - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as polyhalopyridines. These are organic compounds containing a pyridine ring substituted at two or more positions by a halogen atom.
• 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: Air Sensitive
• Punto de fusión (°C): 96 °C
• Peso molecular: 191.000 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 189.954 Da
• Monoisotopic Mass: 189.954 Da
• Topological Polar Surface Area: 38.900 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 101.000
• 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