2-Bromo-3-chloro-5-(trifluoromethyl)pyridine - ≥97% , CAS No.75806-84-7

CAS: 75806-84-7 Cat. No.: B136729 Peso molecular: 260.44 Número EC: 680-932-8

GRADE & PURITY ≥97%

Synonyms

AB04058 | AKOS005071425 | 2-bromo-3-chloro-5-trifluoromethylpyridine | 2-bromo-3-chloro-5-trifluoromethyl-pyridine | A9627 | FT-0611413 | SY016457 | Pyridine, 2-bromo-3-chloro-5-(trifluoromethyl)- | J-508204 | 2-bromo-3-chloro-5(trifluoromethyl)pyridine |

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

AB04058 | AKOS005071425 | 2-bromo-3-chloro-5-trifluoromethylpyridine | 2-bromo-3-chloro-5-trifluoromethyl-pyridine | A9627 | FT-0611413 | SY016457 | Pyridine, 2-bromo-3-chloro-5-(trifluoromethyl)- | J-508204 | 2-bromo-3-chloro-5(trifluoromethyl)pyridine |

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Protected from light, Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488192785
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192785
• Sonrisas canónicas: C1=C(C=NC(=C1Cl)Br)C(F)(F)F
• IUPAC Name: 2-bromo-3-chloro-5-(trifluoromethyl)pyridine
• InChIKey: SMTKGMYGLYWNDL-UHFFFAOYSA-N
• INCHI: 1S/C6H2BrClF3N/c7-5-4(8)1-3(2-12-5)6(9,10)11/h1-2H
• Isómeros SMILES: C1=C(C=NC(=C1Cl)Br)C(F)(F)F
• Peso molecular: 260.44
• Reaxy-Rn: 15721178
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15721178&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: 2-halopyridines Aryl chlorides Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organochlorides Organobromides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - 2-halopyridine - Aryl bromide - Aryl chloride - Aryl halide - Heteroaromatic compound - Azacycle - Alkyl fluoride - Organonitrogen compound - Organofluoride - Organochloride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Alkyl halide - 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: Light Sensitive,Air Sensitive
• Índice de refracción: 1.5
• Punto de inflamación (°C): 91 °C
• Punto de ebullición (°C): 80 °C/32 mmHg
• Peso molecular: 260.440 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 258.901 Da
• Monoisotopic Mass: 258.901 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 163.000
• 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