3,3',4,4'-Tetrabromobiphenyl supplier

Name
3,3',4,4'-TETRABROMOBIPHENYL
EINECS
CAS No. 77102-82-0
Article Data2
CAS DataBase
Density 2.14 g/cm³
Solubility
Melting Point
Formula C₁₂H₆Br₄
Boiling Point 430.9 °C at 760 mmHg
Molecular Weight 469.796
Flash Point 207.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,4,3',4'-Tetrabromobiphenyl;PBB 77;
PSA 0.00000
LogP 6.40360

Synthetic route

: 34237-98-4
3,3'-dibromo-[1,1'-biphenyl]-4,4'-diamine

: 77102-82-0
3,3',4,4'-tetrabromo-1,1'-biphenyl

Conditions

Conditions	Yield
With sulfuric acid Diazotization.Behandlung der Diazoniumsalz-Loesung mit CuBr in wss. HBr;

: 583-53-9
1,2-dibromobenzene

: 77102-82-0
3,3',4,4'-tetrabromo-1,1'-biphenyl

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: (1,5-cyclooctadiene)(methoxy)iridium(l) dimer; 4,4'-di-tert-butyl-2,2'-bipyridine / tetrahydrofuran / 24 h / 80 °C / Inert atmosphere 2: copper diacetate; 1,10-Phenanthroline / N,N-dimethyl-formamide / 12 h / 20 °C View Scheme

: 1075719-78-6
2-(3,4-dibromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

: 77102-82-0
3,3',4,4'-tetrabromo-1,1'-biphenyl

Conditions

Conditions	Yield
With 1,10-Phenanthroline; copper diacetate In N,N-dimethyl-formamide at 20℃; for 12h; regioselective reaction;	0.218 g

3,3',4,4'-Tetrabromobiphenyl Specification

The CAS registry number of 1,1'-Biphenyl,3,3',4,4'-tetrabromo- is 77102-82-0. Its systematic name is 3,3',4,4'-tetrabromobiphenyl. In addition, the molecular formula is C₁₂H₆Br₄ and the molecular weight is 469.79. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about 1,1'-Biphenyl,3,3',4,4'-tetrabromo- are: (1)ACD/LogP: 6.87; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.87; (4)ACD/LogD (pH 7.4): 6.87; (5)ACD/BCF (pH 5.5): 98613.86; (6)ACD/BCF (pH 7.4): 98613.86; (7)ACD/KOC (pH 5.5): 130689.3; (8)ACD/KOC (pH 7.4): 130689.3; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.666; (11)Molar Refractivity: 81.6 cm³; (12)Molar Volume: 219.4 cm³; (13)Polarizability: 32.35 ×10^-24cm³; (14)Surface Tension: 49.6 dyne/cm; (15)Density: 2.14 g/cm³; (16)Flash Point: 207.2 °C; (17)Enthalpy of Vaporization: 65.99 kJ/mol; (18)Boiling Point: 430.9 °C at 760 mmHg; (19)Vapour Pressure: 3.14E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2ccc(c1ccc(Br)c(Br)c1)cc2Br
(2)Std. InChI: InChI=1S/C12H6Br4/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6H
(3)Std. InChIKey: BVGDXTYHVRFEQZ-UHFFFAOYSA-N

Product Name

3,3',4,4'-TETRABROMOBIPHENYL

Synthetic route

3,3',4,4'-Tetrabromobiphenyl Specification

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