CAS No.10386-84-2,4,4'-DIBROMOOCTAFLUOROBIPHENYL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	10386-84-2
Name:	4,4'-DIBROMOOCTAFLUOROBIPHENYL
Article Data:	6

Formula:	C₁₂Br₂F₈
Molecular Weight:	455.927
Synonyms:	Biphenyl,4,4'-dibromo-2,2',3,3',5,5',6,6'-octafluoro- (8CI);Biphenyl,4,4'-dibromooctafluoro- (7CI);4,4'-Dibromo-2,2',3,3',5,5',6,6'-octafluoro-1,1'-biphenyl;4,4'-Dibromooctafluorobiphenyl;NSC 96908;
EINECS:	233-847-1
Density:	2.065 g/cm³
Melting Point:	113-115 °C(lit.)
Boiling Point:	295.4 °C at 760 mmHg
Flash Point:	132.4 °C
Solubility:	Insoluble in water
Appearance:	white crystalline powder
Hazard Symbols:	Xi, F, T
Risk Codes:	36/37/38-67-36-11-63-43-23/24/25-45
Safety:	26-36-16-9-36/37-24/25-23-53
Transport Information:	UN 3152
PSA:	0.00000
LogP:	5.99140

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Specification

The IUPAC name of 1,1'-Biphenyl,4,4'-dibromo-2,2',3,3',5,5',6,6'-octafluoro- is 1-bromo-4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene. With the CAS registry number 10386-84-2, it is also named as 4,4'-Dibromo-2,2',3,3',5,5',6,6'-octafluorobiphenyl. The product's categories are Biphenyls (for High-Performance Polymer Research); Functional Materials; Aryl; C9 to C12; Halogenated Hydrocarbons; 600 Series Wastewater Methods; BromoVolatiles / Semivolatiles; Chemical Class; Halogenated. It is white crystalline powder which is stable and incompatible with strong oxidizing agents. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 8.49; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.49; (4)ACD/LogD (pH 7.4): 8.49; (5)#H bond acceptors: 0; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 0 Å²; (9)Index of Refraction: 1.511; (10)Molar Refractivity: 66.17 cm³; (11)Molar Volume: 220.7 cm³; (12)Polarizability: 26.23×10^-24 cm³; (13)Surface Tension: 35.4 dyne/cm; (14)Enthalpy of Vaporization: 51.37 kJ/mol; (15)Vapour Pressure: 0.0027 mmHg at 25°C; (16)Rotatable Bond Count: 1; (17)Exact Mass: 455.821854; (18)MonoIsotopic Mass: 453.823901; (19)Heavy Atom Count: 22; (20)Complexity: 333.

Uses of 1,1'-Biphenyl,4,4'-dibromo-2,2',3,3',5,5',6,6'-octafluoro-: It can react with 2,3,5,6-tetrafluorophenylcopper to get 2,3,5,6,2',3',5',6',2'',3'',5'',6'',2''',3''',5''',6'''-hexadecafluoro-[1,4';1',1'';4'',1''']quaterphenyl. This reaction needs solvents tetrahydrofuran, toluene and dioxane at temperature of 80 °C. The yield is 95%.

When you are using this chemical, please be cautious about it as the following:
It is highly flammable, so people should keep it away from sources of ignition. What's more, it is not only toxic by inhalation, in contact with skin and if swallowed, but also irritating to eyes, respiratory system and skin. And it may cause cancer and has possible risk of harm to the unborn child. Vapours may cause drowsiness and dizziness. When using it, people should not breathe vapour and avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing and gloves. Avoid exposure - obtain special instructions before use.

People can use the following data to convert to the molecule structure.
1. SMILES:Fc1c(c(F)c(F)c(Br)c1F)c2c(F)c(F)c(Br)c(F)c2F
2. InChI:InChI=1/C12Br2F8/c13-3-9(19)5(15)1(6(16)10(3)20)2-7(17)11(21)4(14)12(22)8(2)18
3. InChIKey:YXLMNFVUNLCJJY-UHFFFAOYAG