4-Amino-3,5-dibromopyridine - ≥98%(GC) , CAS No.84539-34-4

CAS: 84539-34-4 Cat. No.: A136486 Molecular Weight: 251.91 Beilstein Registry Number: 22434 EC Number: 677-124-2

GRADE & PURITY ≥98%(GC)

Synonyms

4-Amino-3,5-dibromopyridine, 95% | BCP9000150 | 4-amino-3,5-dibromopyridine | MFCD00234048 | 3,5-Dibromopyridine-4-amine | S-tert-Butylsulfinamide; (S)-(-)-t-Butylsulfinamide | BCP22875 | FT-0653772 | DTXSID20347287 | 3,5-bis(bromanyl)pyridin-4-amine | 3,

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

4-Amino-3, 5-dibromopyridine, 95% | BCP9000150 | 4-amino-3, 5-dibromopyridine | MFCD00234048 | 3, 5-Dibromopyridine-4-amine | S-tert-Butylsulfinamide; (S)-(-)-t-Butylsulfinamide | BCP22875 | FT-0653772 | DTXSID20347287 | 3, 5-bis(bromanyl)pyridin-4-amine | 3,

Specifications & Purity

≥98%(GC)

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488190777
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190777
• Canonical Smiles: C1=C(C(=C(C=N1)Br)N)Br
• IUPAC Name: 3,5-dibromopyridin-4-amine
• InChIKey: MNRBVTDLMUNVLD-UHFFFAOYSA-N
• INCHI: 1S/C5H4Br2N2/c6-3-1-9-2-4(7)5(3)8/h1-2H,(H2,8,9)
• Isomeric SMILES: C1=C(C(=C(C=N1)Br)N)Br
• WGK Germany: 3
• Molecular Weight: 251.91
• Beilstein: 22434
• Reaxy-Rn: 121090
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=121090&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Polyhalopyridines
• Alternative Parents: Aminopyridines and derivatives Aryl bromides Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - Aminopyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Aromatic heteromonocyclic compound
• Description: 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

Chemical and Physical Properties

• Melt Point(°C): 168 °C
• Molecular Weight: 251.910 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 251.872 Da
• Monoisotopic Mass: 249.874 Da
• Topological Polar Surface Area: 38.900 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 89.000
• 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