2,4-Dibromopyridine - ≥97% , CAS No.58530-53-3

CAS: 58530-53-3 Cat. No.: D124330 Summenformel: C₅H₃Br₂N Molekulargewicht: 236.89 Beilstein Registry Number: 20(5)5,435 EG-Nummer: 663-373-4

GRADE & PURITY ≥97%

Synonyms

PS-7639 | AKOS002664731 | A8283 | MFCD01859720 | CL0012 | 2,4-dibromopyridine | 2,4-Dibromo-pyridine | SY017777 | AC-23012 | STK688513 | Pyridine, 2,4-dibromo- | SCHEMBL4614 | EN300-86277 | FT-0609993 | 2,4-Dibromopyridine, 97% | BCP22110 | W-203195 | AM2

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

PS-7639 | AKOS002664731 | A8283 | MFCD01859720 | CL0012 | 2,4-dibromopyridine | 2,4-Dibromo-pyridine | SY017777 | AC-23012 | STK688513 | Pyridine, 2,4-dibromo- | SCHEMBL4614 | EN300-86277 | FT-0609993 | 2,4-Dibromopyridine, 97% | BCP22110 | W-203195 | AM2

Spezifikationen & Reinheit

≥97%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 488191505
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191505
• Kanonisches Lächeln: C1=CN=C(C=C1Br)Br
• IUPAC Name: 2,4-dibromopyridine
• InChIKey: PCMMSLVJMKQWMQ-UHFFFAOYSA-N
• INCHI: 1S/C5H3Br2N/c6-4-1-2-8-5(7)3-4/h1-3H
• Isomere SMILES: C1=CN=C(C=C1Br)Br
• WGK Deutschland: 1
• Molekulargewicht: 236.89
• Beilstein: 20(5)5,435
• Reaxy-Rn: 108924
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108924&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: 2-halopyridines Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - 2-halopyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - 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

• Löslichkeit: Soluble in Methanol
• Empfindlichkeit: Air & Light sensitive.
• Flammpunkt (°F): >230 °F
• Flammpunkt (°C): >110 °C
• Siedepunkt (°C): 238 °C
• Schmelzpunkt (°C): 38-40°C
• Molekulargewicht: 236.890 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 236.861 Da
• Monoisotopic Mass: 234.863 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 76.800
• 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