3,5-Difluoropyridine - ≥98% , CAS No.71902-33-5

CAS: 71902-33-5 Cat. No.: D186227 Summenformel: C₅H₃F₂N Molekulargewicht: 115.1 EG-Nummer: 624-636-9

GRADE & PURITY ≥98%

Synonyms

InChI=1/C5H3F2N/c6-4-1-5(7)3-8-2-4/h1-3 | SCHEMBL56635 | WRXAZPPGFLETFR-UHFFFAOYSA-N | GEO-03900 | 3,5-Difluoropyridine, 97% | DTXSID70349074 | BP-11397 | AB14383 | PS-9234 | EN300-96529 | J-511333 | MFCD03412222 | pyridine, 3,5-difluoro- | D4038 | FT-061

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

InChI=1/C5H3F2N/c6-4-1-5(7)3-8-2-4/h1-3 | SCHEMBL56635 | WRXAZPPGFLETFR-UHFFFAOYSA-N | GEO-03900 | 3,5-Difluoropyridine, 97% | DTXSID70349074 | BP-11397 | AB14383 | PS-9234 | EN300-96529 | J-511333 | MFCD03412222 | pyridine, 3,5-difluoro- | D4038 | FT-061

Spezifikationen & Reinheit

≥98%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488190944
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190944
• Kanonisches Lächeln: C1=C(C=NC=C1F)F
• IUPAC Name: 3,5-difluoropyridine
• InChIKey: WRXAZPPGFLETFR-UHFFFAOYSA-N
• INCHI: 1S/C5H3F2N/c6-4-1-5(7)3-8-2-4/h1-3H
• Isomere SMILES: C1=C(C=NC=C1F)F
• WGK Deutschland: 3
• UN-Nummer: 1993
• Verpackungsgruppe: II
• Molekulargewicht: 115.1
• Reaxy-Rn: 7914363
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7914363&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 Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - Aryl halide - Aryl fluoride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - 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 sensitive
• Brechungsindex: 1.4437
• Flammpunkt (°F): 48 °F
• Flammpunkt (°C): 9°C
• Siedepunkt (°C): 92-93℃
• Molekulargewicht: 115.080 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 115.023 Da
• Monoisotopic Mass: 115.023 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 68.800
• 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