2-Bromo-6-(trifluoromethyl)pyridine - ≥98% , CAS No.189278-27-1

CAS: 189278-27-1 Cat. No.: B124305 Peso molecular: 225.99 Número EC: 634-229-8

GRADE & PURITY ≥98%

Synonyms

6-trifluoromethyl-2-bromopyridine | BBL103783 | SY001906 | AB04069 | 2-Bromo-6-(trifluoromethyl)pyridine | AKOS005063456 | BDBM113773 | DTXSID70382345 | 2-Bromo-6-trifluoronethylpyridine | W-206395 | B3759 | BCP15794 | SCHEMBL37428 | A813311 | EN300-10889

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

6-trifluoromethyl-2-bromopyridine | BBL103783 | SY001906 | AB04069 | 2-Bromo-6-(trifluoromethyl)pyridine | AKOS005063456 | BDBM113773 | DTXSID70382345 | 2-Bromo-6-trifluoronethylpyridine | W-206395 | B3759 | BCP15794 | SCHEMBL37428 | A813311 | EN300-10889

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488193902
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193902
• Sonrisas canónicas: C1=CC(=NC(=C1)Br)C(F)(F)F
• IUPAC Name: 2-bromo-6-(trifluoromethyl)pyridine
• InChIKey: DOWNSQADAFSSAR-UHFFFAOYSA-N
• INCHI: 1S/C6H3BrF3N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H
• Isómeros SMILES: C1=CC(=NC(=C1)Br)C(F)(F)F
• WGK Alemania: 3
• Peso molecular: 225.99
• Reaxy-Rn: 9043724
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9043724&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: 2-halopyridines
• Alternative Parents: Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 2-halopyridines. These are organic compounds containing a pyridine ring substituted at the 2-position 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

• Solubilidad: Soluble in Methanol
• Punto de ebullición (°C): 96°C/30mmHg
• Punto de fusión (°C): 48-51°C
• Peso molecular: 225.990 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 224.94 Da
• Monoisotopic Mass: 224.94 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 136.000
• 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

Referencias

1. Qiuyu Lin, Luyun Xue, Jiannan Sun, Yuanchao Wang, Heyong Cheng.  (2022)  Suzuki C–C Coupling in Paper Spray Ionization: Microsynthesis of Biaryls and High-Sensitivity MS Detection of Aryl Bromides.  JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY,      [PMID:36074999] [10.1021/jasms.2c00192]