2,5-Dibromo-1,4-diformylbenzene - ≥97% , CAS No.63525-48-4

CAS: 63525-48-4 Cat. No.: B300431 Molecular Weight: 291.93 EC Number: 878-593-8

GRADE & PURITY ≥97%

Synonyms

2,5-DIBROMO-1,4-BENZENEDICARBOXALDEHYDE | DS-15193 | AKOS016007564 | 2,5-dibromoterephthalaldehyde | SY100820 | MFCD11521314 | A857421 | DTXSID80493512 | FT-0758699 | I11276 | 1,4-Benzenedicarboxaldehyde, 2,5-dibromo- | VSUKSWCSOBXUFG-UHFFFAOYSA-N | 2,5-D

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

2, 5-DIBROMO-1, 4-BENZENEDICARBOXALDEHYDE | DS-15193 | AKOS016007564 | 2, 5-dibromoterephthalaldehyde | SY100820 | MFCD11521314 | A857421 | DTXSID80493512 | FT-0758699 | I11276 | 1, 4-Benzenedicarboxaldehyde, 2, 5-dibromo- | VSUKSWCSOBXUFG-UHFFFAOYSA-N | 2, 5-D

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504767071
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767071
• Canonical Smiles: C1=C(C(=CC(=C1Br)C=O)Br)C=O
• IUPAC Name: 2,5-dibromoterephthalaldehyde
• InChIKey: VSUKSWCSOBXUFG-UHFFFAOYSA-N
• INCHI: 1S/C8H4Br2O2/c9-7-1-5(3-11)8(10)2-6(7)4-12/h1-4H
• Isomeric SMILES: C1=C(C(=CC(=C1Br)C=O)Br)C=O
• Molecular Weight: 291.93
• Reaxy-Rn: 2442259
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2442259&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Benzaldehydes Bromobenzenes Aryl bromides Vinylogous halides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzaldehyde - Benzoyl - Aryl-aldehyde - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Vinylogous halide - Organobromide - Organooxygen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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

• Sensitivity: air sensitive
• Melt Point(°C): 191°C
• Molecular Weight: 291.920 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 291.856 Da
• Monoisotopic Mass: 289.858 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 164.000
• 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. Dongping Rao, Luyan Meng, Xiuqin Sheng, Wenying Yu, Chuan-Fan Ding, Yinghua Yan.  (2024)  Construction of a hydrophilic porphyrin-based MOF@COF hybrid via post-synthetic modification for N-glycopeptides analysis in human serum.  Analytical Methods,      [PMID:39484847] [10.1039/D4AY01791A]

2. Zhenzhen Cai, Zhiheng Huo, Gaosheng Li, Xu Cheng, Fang Xiao, Yuwan Du, Baiyi Zu, Xincun Dou.  (2025)  Precise Electron-Withdrawing Strength Regulation of π-Conjugate Bridge-Boosted Specific Detection toward α-Methyltryptamine.  ANALYTICAL CHEMISTRY,      [PMID:39846813] [10.1021/acs.analchem.4c05950]

3. Jinzhi Cao, Yilin Zhao, Meihui Chen, Zhiyi Zhao, Yuhan Xiong, Dingding Tang, Yan Zhou, Xiong Qin, Nanqi Ren, Hui Wang, Jie Ding.  (2025)  S-scheme heterojunction fabricated from donor–acceptor COF-R/NVCN photocatalytic degradation of chlorophenols.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2025.120135]