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Basic information
- CAS
67888-97-5- Standard SMILES
Brc1ccc(-c2cc(Br)c(Br)cc2Br)cc1Br- InChIKey
YOQVIFKWRYWBEP-UHFFFAOYSA-N- Molecular formula
- C12H5Br5
- Average molar mass
- 548.7 g/mol
- Monoisotopic mass
- 543.63081
Names & identifiers
- Preferred name
- Pbb 118
- IUPAC
- 1,2,4-tribromo-5-(3,4-dibromophenyl)benzene
- English name
- 2,4,5,3',4'-pentabromobiphenyl
- Molecular formula
- C12H5Br5
- Molecular weight
- 548.69
Names & synonyms
2,4,5,3',4'-Pentabromobiphenyl2,3',4,4',5-Pentabromo-1,1'-biphenyl67888-97-5ZRP9G85IJI2,3',4,4',5-PentabromobiphenylDTXSID102181141,1'-Biphenyl, 2,3',4,4',5-pentabromo-PBB 118RefChem:9286421,2,4-tribromo-5-(3,4-dibromophenyl)benzeneDTXCID30140605UNII-ZRP9G85IJI
Show more names
YOQVIFKWRYWBEP-UHFFFAOYSA-N2,4,4',5,5'-PENTABROMOBIPHENYLNS00126994Q27295865
Database identifiers
- CAS
67888-97-5- PubChem CID
- 107888
- DTXSID
DTXSID10218114- UNII
- ZRP9G85IJI
- Nikkaji
- J1.770.063D
Properties
Computed structural propertiesFilling in
- XLogP
- 7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- FDA UNII
- 9 G85IJI · ZRP9G85IJI
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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