5-Bromo-2-(trifluoromethyl)pyridine - ≥98% , CAS No.436799-32-5

CAS: 436799-32-5 Cat. No.: B122682 Peso molecular: 225.99 Número EC: 629-029-2

GRADE & PURITY ≥98%

Synonyms

A6997 | AM20051180 | MFCD06657686 | 3-bromo-6-trifluoromethylpyridine | 5-Bromo-2-trifluoromethylpyridine | 5-Bromo-2-trifluoromethyl-pyridine | SY001007 | AB25626 | 5-Bromo-2-(trifluoromethyl) | HY-66030 | JRPUJGUKMUGVGI-UHFFFAOYSA-N | 2-Trifluoromethyl-

Storage

Room temperature

Shipped In

Normal

Descripción general

Regioselective C-4 deprotonation with LDA and trapping with carbon dioxide leads to the corresponding C-4 acid.

Specifications

Sinónimos

A6997 | AM20051180 | MFCD06657686 | 3-bromo-6-trifluoromethylpyridine | 5-Bromo-2-trifluoromethylpyridine | 5-Bromo-2-trifluoromethyl-pyridine | SY001007 | AB25626 | 5-Bromo-2-(trifluoromethyl) | HY-66030 | JRPUJGUKMUGVGI-UHFFFAOYSA-N | 2-Trifluoromethyl-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488193200
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193200
• Sonrisas canónicas: C1=CC(=NC=C1Br)C(F)(F)F
• IUPAC Name: 5-bromo-2-(trifluoromethyl)pyridine
• InChIKey: RPFAUCIXZGMCFN-UHFFFAOYSA-N
• INCHI: 1S/C6H3BrF3N/c7-4-1-2-5(11-3-4)6(8,9)10/h1-3H
• Isómeros SMILES: C1=CC(=NC=C1Br)C(F)(F)F
• WGK Alemania: 3
• Número ONU: 2811
• Peso molecular: 225.99
• Reaxy-Rn: 9043487
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9043487&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - 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 pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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

• Punto de inflamación (°F): 172.4 °F
• Punto de inflamación (°C): 78 °C
• Punto de ebullición (°C): 76-78°C/18mm
• Punto de fusión (°C): 39-40°C
• Peso molecular: 225.990 g/mol
• XLogP3: 2.500
• 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