2,4,6-Tribromophenol

• CAS: 118-79-6
• Catalog Number: ACM118796
• Category: Other Products
• Molecular Weight: 330.80
• Molecular Formula: C6H3Br3O
• Description: 2,4,6-Tribromophenol undergoes oxidative degradation catalyzed by SiO2-supported iron(III)-5,10,15,20-tetrakis(4-carboxyphenyl) porphyrin. It is degraded by Bacillus sp.GZT strain via reductive bromination as major degradation pathway. It is a widely used brominated flame retardant.
• Synonyms: Tribromophenol
• Canonical SMILES: Oc1c(Br)cc(Br)cc1Br
• InChI: 1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
• InChI Key: BSWWXRFVMJHFBN-UHFFFAOYSA-N
• Boiling Point: 282-290 °C/746 mmHg (lit.)
• Melting Point: 90-94 °C (lit.)
• Flash Point: 282-290°C
• Density: 2.55 g/cm³
• Solubility: water: soluble 0.007g/100ml at 25 °C chloroform: soluble diethyl ether: soluble ethanol: soluble methanol: soluble methylene chloride: soluble
• Appearance: White to slightly brown powder
• Storage: Store at 2-8°C
• Complexity: 108
• Defined Atom Stereocenter Count: 0
• Exact Mass: 329.7713
• Formal Charge: 0
• Heavy Atom Count: 10
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 1
• Isotope Atom Count: 0
• Monoisotopic Mass: 329.7713
• Packaging: 5, 100 g in glass bottle
• pH: pka, 6.34±0.23
• Refractive Index: 1.558
• Rotatable Bond Count: 0
• Topological Polar Surface Area: 20.2 Ų
• XLogP3-AA: 4.4