3,5-Dibromo-4-hydroxybenzaldehyde - ≥98% , CAS No.2973-77-5

CAS: 2973-77-5 Cat. No.: D117854 Molecular Weight: 279.91 EC Number: 221-017-1

GRADE & PURITY ≥98%

Synonyms

DTXSID20183889 | NSC 72944 | AC-13720 | AG-205/06024052 | Z57176718 | NSC72944 | NSC-72944 | BBL023240 | EINECS 221-017-1 | W-106975 | Benzaldehyde, 3,5-dibromo-4-hydroxy- | InChI=1/C7H4Br2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11 | D0189 | MFCD00016980 | s10

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

DTXSID20183889 | NSC 72944 | AC-13720 | AG-205/06024052 | Z57176718 | NSC72944 | NSC-72944 | BBL023240 | EINECS 221-017-1 | W-106975 | Benzaldehyde, 3, 5-dibromo-4-hydroxy- | InChI=1/C7H4Br2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3, 11 | D0189 | MFCD00016980 | s10

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488182437
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182437
• Canonical Smiles: C1=C(C=C(C(=C1Br)O)Br)C=O
• IUPAC Name: 3,5-dibromo-4-hydroxybenzaldehyde
• InChIKey: SXRHGLQCOLNZPT-UHFFFAOYSA-N
• INCHI: 1S/C7H4Br2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H
• Isomeric SMILES: C1=C(C=C(C(=C1Br)O)Br)C=O
• WGK Germany: 3
• Molecular Weight: 279.91
• Reaxy-Rn: 1948512
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1948512&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Aryl-aldehydes
            • Level7 Benzaldehydes
              • Level8 Hydroxybenzaldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes - Aryl-aldehydes - Benzaldehydes
• Direct Parent: Hydroxybenzaldehydes
• Alternative Parents: O-bromophenols Benzoyl derivatives Bromobenzenes Aryl bromides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzaldehyde - Benzoyl - 2-halophenol - 2-bromophenol - Phenol - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Monocyclic benzene moiety - Benzenoid - Organobromide - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: air sensitive
• Melt Point(°C): 184°C
• Molecular Weight: 279.910 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 279.856 Da
• Monoisotopic Mass: 277.858 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 139.000
• 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

References

1. Xingxing Huang, Yujie Ao, Haocheng Yang, Muyu Feng, Xuan Wang, Rui Chen, Qing Yang, Jinsuo Lu.  (2025)  A novel approach to healthy water Treatment: Boiling-Based UV photoelectrochemical oxidation process for the removal of disinfection by-products from drinking water.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.163658]

2. Xingxing Huang, Xiaojiang Huang, Muyu Feng, Haocheng Yang, Xuan Wang, Zhiqiang Zhang, Jinsuo Lu.  (2025)  Electrochemically assisted UV-enhanced boiling of drinking water to reduce human exposure to disinfection byproducts.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.164601]