2,2'-Dibromo-5,5'-dinitrobiphenyl

Base Information

• Chemical Name: 2,2'-Dibromo-5,5'-dinitrobiphenyl
• CAS No.: 52026-22-9
• Molecular Formula: C12H6Br2N2O4
• Molecular Weight: 401.999
• DSSTox Substance ID: DTXSID50547379
• Wikidata: Q82425556
• Mol file: 52026-22-9.mol

Synonyms:2,2'-dibromo-5,5'-dinitrobiphenyl;52026-22-9;1-bromo-2-(2-bromo-5-nitrophenyl)-4-nitrobenzene;SCHEMBL7741732;DTXSID50547379;2,2'-Dibromo-5,5'-dinitro-1,1'-biphenyl

Chemical Property of 2,2'-Dibromo-5,5'-dinitrobiphenyl

Chemical Property:

• Melting Point: 220-221 °C(Solv: acetone (67-64-1); methanol (67-56-1))
• Boiling Point: 460.9±45.0 °C(Predicted)
• PSA: 91.64000
• Density: 1.907±0.06 g/cm3(Predicted)
• LogP: 5.74140
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 401.86738
• Heavy Atom Count: 20
• Complexity: 349

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C2=C(C=CC(=C2)[N+](=O)[O-])Br)Br
• Uses: 2,2''-Dibromo-5,5''-dinitrobiphenyl is an intermediate in the synthesis of PBB 52 (P216560) which is a related compound of PBB 37 (P215150), a brominated biphenyls that can be used as a flame retardant and often incorporated into consumer products including appliances, electronics and plastics. PBB 52 is also a persistent organic pollutant.

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