3-Bromo-5-pyridinol - ≥97% , CAS No.74115-13-2

CAS: 74115-13-2 Cat. No.: B107719 Peso molecular: 174 Número EC: 627-764-3

GRADE & PURITY ≥97%

Synonyms

1-Methylethyl ester1-methylethyl hexandecanoate | 3-HYDROXY-5-BROMOPYRIDINE | 3-Hydro-5-bromo-pyridin | 5-bromopyridine-3-ol | A9519 | B3969 | 5-Bromo-3-hydroxylpyridine | SY003815 | NCGC00248020-01 | AKOS000275939 | 5-bromo-3-hydroxy-pyridine | FT-061517

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Product Application：

Slightly soluble in water. Soluble in chloroform and ethyl acetate.

Specifications

Sinónimos

1-Methylethyl ester1-methylethyl hexandecanoate | 3-HYDROXY-5-BROMOPYRIDINE | 3-Hydro-5-bromo-pyridin | 5-bromopyridine-3-ol | A9519 | B3969 | 5-Bromo-3-hydroxylpyridine | SY003815 | NCGC00248020-01 | AKOS000275939 | 5-bromo-3-hydroxy-pyridine | FT-061517

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488190611
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190611
• Sonrisas canónicas: C1=C(C=NC=C1Br)O
• IUPAC Name: 5-bromopyridin-3-ol
• InChIKey: VNYBIBSZZDAEOK-UHFFFAOYSA-N
• INCHI: 1S/C5H4BrNO/c6-4-1-5(8)3-7-2-4/h1-3,8H
• Isómeros SMILES: C1=C(C=NC=C1Br)O
• WGK Alemania: 3
• Peso molecular: 174
• Reaxy-Rn: 108483
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108483&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Hydroxypyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Hydroxypyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxypyridines
• Alternative Parents: Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 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 hydroxypyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a hydroxyl group.
• 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

• Solubilidad: Slightly soluble in water. Soluble in chloroform and ethyl acetate.
• Punto de fusión (°C): 166-170°C
• Peso molecular: 174.000 g/mol
• XLogP3: 1.200
• 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

Referencias

1. Leyi Wang, Hongli Zhong, Xueyao Chen, Xun Chen, Qing Zhou, Aimin Li, Yang Pan.  (2024)  A group of emerging heterocyclic nitrogenous disinfection byproducts: Formation and cytotoxicity of halopyridinols in drinking water.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:38743981] [10.1016/j.jhazmat.2024.134569]