2,5-Dibromophenol - ≥98% , CAS No.28165-52-8

CAS: 28165-52-8 Cat. No.: D183406 Molecular Weight: 251.9 EC Number: 631-119-1

GRADE & PURITY ≥98%

Synonyms

AKOS009158327 | Phenol, 2,5-dibromo- | CL8456 | GUXWVUVLXIJHQF-UHFFFAOYSA-N | 2,5-DIBROMOPHENOL | SY020442 | FT-0647709 | AB92988 | DTXSID40182430 | J-507302 | Q209231 | PS-7461 | AC-25981 | MFCD01851373 | SCHEMBL582238 | AM20040082 | EN300-92071

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AKOS009158327 | Phenol, 2, 5-dibromo- | CL8456 | GUXWVUVLXIJHQF-UHFFFAOYSA-N | 2, 5-DIBROMOPHENOL | SY020442 | FT-0647709 | AB92988 | DTXSID40182430 | J-507302 | Q209231 | PS-7461 | AC-25981 | MFCD01851373 | SCHEMBL582238 | AM20040082 | EN300-92071

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488183242
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183242
• Canonical Smiles: C1=CC(=C(C=C1Br)O)Br
• IUPAC Name: 2,5-dibromophenol
• InChIKey: GUXWVUVLXIJHQF-UHFFFAOYSA-N
• INCHI: 1S/C6H4Br2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
• Isomeric SMILES: C1=CC(=C(C=C1Br)O)Br
• Molecular Weight: 251.9
• Reaxy-Rn: 2435071
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2435071&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass Halophenols
        • Level5 Bromophenols
          • Level6 O-bromophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Bromophenols
• Direct Parent: O-bromophenols
• 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: 2-bromophenol - 3-bromophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Bromobenzene - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as o-bromophenols. These are bromophenols carrying a iodine at the C2 position of the benzene ring.
• 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

• Molecular Weight: 251.900 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 251.861 Da
• Monoisotopic Mass: 249.863 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 97.100
• 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. Li Zhijun, Zhang Mingyang, Zhang Lili, Dong Xiuli, Leng Leipeng, Horton J. Hugh, Wang Jun.  (2021)  Engineering the atomic interface of porous ceria nanorod with single palladium atoms for hydrodehalogenation reaction.  Nano Research,  15  (2): (1338-1346).  [PMID:] [10.1007/s12274-021-3662-y]

2. Xue Li, Yuan-Yuan Cui, Cheng-Xiong Yang, Xiu-Ping Yan.  (2019)  Synthesis of carboxyl functionalized microporous organic network for solid phase extraction coupled with high-performance liquid chromatography for the determination of phenols in water samples.  TALANTA,      [PMID:31816685] [10.1016/j.talanta.2019.120434]

3. Yuan-Yuan Cui, Hu-Bo Ren, Cheng-Xiong Yang, Xiu-Ping Yan.  (2019)  Facile synthesis of hydroxyl enriched microporous organic networks for enhanced adsorption and removal of tetrabromobisphenol A from aqueous solution.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2019.05.082]