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

CAS: 106120-04-1 Cat. No.: B152694 Molecular Weight: 189.01 EC Number: 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

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 |

Specifications & Purity

≥98%(GC)(T)

Storage

Room temperature, Argon charged, Desiccated, Cool

Shipped In

Normal

Purity

≥98%(GC)(T)

Names and Identifiers

• Pubchem Sid: 488190287
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190287
• Canonical Smiles: 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
• Isomeric SMILES: C1=C(C=C(C=C1O)Br)O
• Molecular Weight: 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
    • Class Phenols
      • Subclass Benzenediols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in water
• Sensitivity: air sensitive
• Boil Point(°C): 140°C/0.3mmHg(lit.)
• Melt Point(°C): 90.0 - 96.0 °C
• Molecular Weight: 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

References

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]