4-Bromo-3,5-diiodobenzoic acid

Base Information

• Chemical Name: 4-Bromo-3,5-diiodobenzoic acid
• CAS No.: 861117-99-9
• Molecular Formula: C₇H₃BrI₂O₂
• Molecular Weight: 452.813
• DSSTox Substance ID: DTXSID60697132
• Wikidata: Q72454749
• Mol file: 861117-99-9.mol

Synonyms:4-BROMO-3,5-DIIODOBENZOIC ACID;861117-99-9;4-Bromo-3,5-diiodobenzoicacid;SCHEMBL16049973;DTXSID60697132;GYACLFCYRGVTOB-UHFFFAOYSA-N;MFCD11109503;CS-0360305;FT-0730580

Chemical Property of 4-Bromo-3,5-diiodobenzoic acid

Chemical Property:

• Refractive Index: 1.758
• Boiling Point: 461 °C at 760 mmHg
• PKA: 3.27±0.10(Predicted)
• Flash Point: 232.6 °C
• PSA: 37.30000
• Density: 2.79 g/cm³
• LogP: 3.35650
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 451.74059
• Heavy Atom Count: 12
• Complexity: 176

Purity/Quality:

98%min ^*data from raw suppliers

4-Bromo-3,5-diiodobenzoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1I)Br)I)C(=O)O