2-Bromo-3-pyridinol - ≥98% , CAS No.6602-32-0

CAS: 6602-32-0 Cat. No.: B110249 Peso molecular: 174 Beilstein Registry Number: 109829 Número EC: 229-547-5

GRADE & PURITY ≥98%

Synonyms

A8925 | AM20061421 | AC-3247 | EN300-53585 | AC-907/30002046 | 2-Bromo-3-pyridol | SKF 75250 | SY004806 | TS-03587 | 2-Bromo-3-hydroxypyridine | 2-bromo-3-hydroxy-pyridine | 2-Bromo-3-pyridinol, 99% | 3-PYRIDINOL, 2-BROMO- | 9DAB85H359 | F2147-0555 | 5-21

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

A8925 | AM20061421 | AC-3247 | EN300-53585 | AC-907/30002046 | 2-Bromo-3-pyridol | SKF 75250 | SY004806 | TS-03587 | 2-Bromo-3-hydroxypyridine | 2-bromo-3-hydroxy-pyridine | 2-Bromo-3-pyridinol, 99% | 3-PYRIDINOL, 2-BROMO- | 9DAB85H359 | F2147-0555 | 5-21

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488182801
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182801
• Sonrisas canónicas: C1=CC(=C(N=C1)Br)O
• IUPAC Name: 2-bromopyridin-3-ol
• InChIKey: YKHQFTANTNMYPP-UHFFFAOYSA-N
• INCHI: 1S/C5H4BrNO/c6-5-4(8)2-1-3-7-5/h1-3,8H
• Isómeros SMILES: C1=CC(=C(N=C1)Br)O
• WGK Alemania: 3
• RTECS: UU7705000
• Peso molecular: 174
• Beilstein: 109829
• Reaxy-Rn: 109829
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=109829&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: Hydroxypyridines Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyridine - Hydroxypyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - 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

• Punto de fusión (°C): 181°C
• Peso molecular: 174.000 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 172.948 Da
• Monoisotopic Mass: 172.948 Da
• Topological Polar Surface Area: 33.100 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