3-Bromo-4-fluoropyridine - ≥97% , CAS No.116922-60-2

CAS: 116922-60-2 Cat. No.: B166190 Summenformel: C₅H₃BrFN Molekulargewicht: 175.99 EG-Nummer: 695-366-7

GRADE & PURITY ≥97%

Synonyms

PKYADCLPLQPPKK-UHFFFAOYSA-N | SCHEMBL2371169 | DTXSID90376443 | EN300-84604 | FT-0600161 | 3-bromo-4-fluoropyridine | PS-8597 | BBL102469 | A803689 | Pyridine, 3-bromo-4-fluoro- | STL556272 | 3-Bromo-4-fluoropyridine, 97% | MFCD04114101 | SY024694 | J-511

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

PKYADCLPLQPPKK-UHFFFAOYSA-N | SCHEMBL2371169 | DTXSID90376443 | EN300-84604 | FT-0600161 | 3-bromo-4-fluoropyridine | PS-8597 | BBL102469 | A803689 | Pyridine, 3-bromo-4-fluoro- | STL556272 | 3-Bromo-4-fluoropyridine, 97% | MFCD04114101 | SY024694 | J-511

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 528758846
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528758846
• Kanonisches Lächeln: C1=CN=CC(=C1F)Br
• IUPAC Name: 3-bromo-4-fluoropyridine
• InChIKey: PKYADCLPLQPPKK-UHFFFAOYSA-N
• INCHI: 1S/C5H3BrFN/c6-4-3-8-2-1-5(4)7/h1-3H
• Isomere SMILES: C1=CN=CC(=C1F)Br
• Molekulargewicht: 175.99
• Reaxy-Rn: 4960263
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4960263&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Polyhalopyridines
• Alternative Parents: Aryl fluorides Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - Aryl halide - Aryl fluoride - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air and heat sensitive
• Flammpunkt (°C): 56 °C
• Siedepunkt (°C): 70 °C/20 mmHg
• Molekulargewicht: 175.990 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 174.943 Da
• Monoisotopic Mass: 174.943 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 78.800
• 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