2-Bromo-4-(trifluoromethyl)pyridine - ≥97% , CAS No.175205-81-9

CAS: 175205-81-9 Cat. No.: B124350 Peso molecular: 225.99 Número EC: 672-057-5

GRADE & PURITY ≥97%

Synonyms

SY007961 | STL556901 | AB04062 | PS-6522 | DTXSID60381807 | FT-0643691 | 2-bromo-4-trifluoromethylpyridine | 2-bromo-4-trifluoromethyl-pyridine | HY-W002441 | B5510 | MFCD00153085 | Pyridine, 2-bromo-4-(trifluoromethyl)- | 2-Bromo-4-trifluormethylpyridine

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Regioselective deprotonation at C-3 with LDA followed by trapping with carbon dioxide provides the correspondin nicotinic acid.

Specifications

Sinónimos

SY007961 | STL556901 | AB04062 | PS-6522 | DTXSID60381807 | FT-0643691 | 2-bromo-4-trifluoromethylpyridine | 2-bromo-4-trifluoromethyl-pyridine | HY-W002441 | B5510 | MFCD00153085 | Pyridine, 2-bromo-4-(trifluoromethyl)- | 2-Bromo-4-trifluormethylpyridine

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488193849
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193849
• Sonrisas canónicas: C1=CN=C(C=C1C(F)(F)F)Br
• IUPAC Name: 2-bromo-4-(trifluoromethyl)pyridine
• InChIKey: WZVHLUMAQLUNTJ-UHFFFAOYSA-N
• INCHI: 1S/C6H3BrF3N/c7-5-3-4(1-2-11-5)6(8,9)10/h1-3H
• Isómeros SMILES: C1=CN=C(C=C1C(F)(F)F)Br
• WGK Alemania: 3
• Peso molecular: 225.99
• Reaxy-Rn: 9477872
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9477872&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

• Sensibilidad: Air Sensitive
• Índice de refracción: 1.478
• Punto de inflamación (°F): 163.4 °F
• Punto de inflamación (°C): 73℃(164°F)
• Punto de ebullición (°C): 84-85°C/14mmHg
• Punto de fusión (°C): -20 °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