| Identification | Back Directory | [Name]
3,3',5,5'-TETRABROMOBIPHENYL | [CAS]
16400-50-3 | [Synonyms]
pbb 80
PBB NO 80
1,3-Dibromo-5-phenylbenzene
3,3',5,5'-TETRABROMOBIPHENYL
3,5,3',5'-TetrabroMo-biphenyl
3,3',5,5'-Tetrabromo-1,1'-biphenyl
1,1'-Biphenyl, 3,3',5,5'-tetrabromo-
1,3-dibromo-5-(3,5-dibromophenyl)benzene
3,3',5,5'-Tetrabromobiphenyl, 35μg /mL in Isooctane | [Molecular Formula]
C12H6Br4 | [MDL Number]
MFCD00152828 | [MOL File]
16400-50-3.mol | [Molecular Weight]
469.79 |
| Chemical Properties | Back Directory | [Melting point ]
185-190℃ | [Boiling point ]
401.8±40.0 °C(Predicted) | [density ]
2.140±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Chloroform (Slightly), Dichloromethane (Slightly) | [form ]
Solid | [color ]
White to Off-White | [InChI]
InChI=1S/C12H6Br4/c13-9-1-7(2-10(14)5-9)8-3-11(15)6-12(16)4-8/h1-6H | [InChIKey]
FXJXZYWFJAXIJX-UHFFFAOYSA-N | [SMILES]
C1(C2=CC(Br)=CC(Br)=C2)=CC(Br)=CC(Br)=C1 | [EPA Substance Registry System]
1,1'-Biphenyl, 3,3',5,5'-tetrabromo- (16400-50-3) |
| Hazard Information | Back Directory | [Uses]
PBB 80 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. | [Preparation]
1,3,5-tribromobenzene (6.3 g, 20 mmol) was dissolved in diethylether (50 ml). The reaction solution was cooled to -78° C., and n-butyllithium (8.8 ml, 22 mmol, 2.5M in hexane) was gradually added thereto. The reaction mixture was stirred at -78° C. for one hour, and copper chloride (II) (2.96 g, 22 mmol) was added thereto at -78° C. The reaction solution was stirred for five hours and washed with distilled water and ethylacetate at room temperature. The obtained ethylacetate layer was dried over MgSO4, and then dried under a reduced pressure to obtain a crude product. The crude product was purified by silica gel column chromatography to give intermediate A as a white solid (3.74 g, yield: 80%). |
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