5-Bromoresorcinol - ≥98%(GC)(T) , CAS No.106120-04-1

CAS: 106120-04-1 Cat. No.: B152694 Peso molecular: 189.01 Número EC: 805-756-2

GRADE & PURITY ≥98%(GC)(T)

Synonyms

SY029153 | A801427 | B3731 | 5-Bromo-1,3-benzenediol | 1,3-Benzenediol, 5-bromo- | AKOS015950883 | 5-Bromo-1,3-benzenediol # | 5-Bromo-1,3-dihydroxybenzene | 5-Bromoresorcinol | 1-Bromo-3,5-dihydroxybenzene | 3-hydroxy-5-bromophenol | FT-0704819 | A2021 |

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Specifications

Sinónimos

SY029153 | A801427 | B3731 | 5-Bromo-1, 3-benzenediol | 1, 3-Benzenediol, 5-bromo- | AKOS015950883 | 5-Bromo-1, 3-benzenediol # | 5-Bromo-1, 3-dihydroxybenzene | 5-Bromoresorcinol | 1-Bromo-3, 5-dihydroxybenzene | 3-hydroxy-5-bromophenol | FT-0704819 | A2021 |

Especificaciones y pureza

≥98%(GC)(T)

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged, Desiccated, Cool

Enviado en

Normal

Pureza

≥98%(GC)(T)

Nombres e identificadores

• Pubchem Sid: 488190287
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190287
• Sonrisas canónicas: C1=C(C=C(C=C1O)Br)O
• IUPAC Name: 5-bromobenzene-1,3-diol
• InChIKey: HYHHGFFTWSYNMV-UHFFFAOYSA-N
• INCHI: 1S/C6H5BrO2/c7-4-1-5(8)3-6(9)2-4/h1-3,8-9H
• Isómeros SMILES: C1=C(C=C(C=C1O)Br)O
• Peso molecular: 189.01
• Reaxy-Rn: 3234777
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3234777&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass Benzenediols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Benzenediols
• Intermediate Tree Nodes: Not available
• Direct Parent: Resorcinols
• Alternative Parents: M-bromophenols Bromobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Organooxygen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Resorcinol - 3-bromophenol - 3-halophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Organic oxygen compound - Organohalogen compound - Organobromide - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as resorcinols. These are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydroxyl groups at positions 1 and 3.
• 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: Soluble in water
• Sensibilidad: air sensitive
• Punto de ebullición (°C): 140°C/0.3mmHg(lit.)
• Punto de fusión (°C): 90.0 - 96.0 °C
• Peso molecular: 189.010 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 187.947 Da
• Monoisotopic Mass: 187.947 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 87.100
• 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. You Zhang, Wenzhong Ma, Jing Zhong, Yu Qiao, Zihao Jiang, Ning Xu, Longgui Zhang.  (2026)  Controlling Mechanically Induced Luminescence in Polycaprolactone via Precision Circular Mechanophore Size Design.  POLYMER,      [PMID:] [10.1016/j.polymer.2026.129854]