CAS No.3883-86-1,4H,4'H-OCTAFLUOROBIPHENYL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	3883-86-1
Name:	4H,4'H-OCTAFLUOROBIPHENYL
Article Data:	23

Formula:	C₁₂H₂F₈
Molecular Weight:	298.135
Synonyms:	Biphenyl,2,2',3,3',5,5',6,6'-octafluoro- (7CI,8CI);2,2',3,3',5,5',6,6'-Octafluorobiphenyl;NSC 96909;
EINECS:	223-418-7
Density:	1.582 g/cm³
Melting Point:	84-86 °C(lit.)
Boiling Point:	222.4 °C at 760 mmHg
Flash Point:	73.9 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	0.00000
LogP:	4.46640

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Specification

The 1,1'-Biphenyl,2,2',3,3',5,5',6,6'-octafluoro- is an organic compound with the formula C₁₂H₂F₈. The IUPAC name of this chemical is 1,2,4,5-tetrafluoro-3-(2,3,5,6-tetrafluorophenyl)benzene. With the CAS registry number 3883-86-1, it is also named as Biphenyl, 2,2',3,3',5,5',6,6'-octafluoro-. The product's categories are Aryl; C9 to C12; Halogenated Hydrocarbons. Besides, it should be stored in a dark closed and well-ventilated place.

Physical properties about 1,1'-Biphenyl,2,2',3,3',5,5',6,6'-octafluoro- are: (1)ACD/LogP: 7.07; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.07; (4)ACD/LogD (pH 7.4): 7.07; (5)ACD/BCF (pH 5.5): 139124.63; (6)ACD/BCF (pH 7.4): 139124.63; (7)ACD/KOC (pH 5.5): 167196.08; (8)ACD/KOC (pH 7.4): 167196.08; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.451; (11)Molar Refractivity: 50.79 cm³; (12)Molar Volume: 188.3 cm³; (13)Polarizability: 20.13×10^-24cm³; (14)Surface Tension: 29.1 dyne/cm; (15)Density: 1.582 g/cm³; (16)Flash Point: 73.9 °C; (17)Enthalpy of Vaporization: 44.02 kJ/mol; (18)Boiling Point: 222.4 °C at 760 mmHg; (19)Vapour Pressure: 0.151 mmHg at 25°C.

Preparation: this chemical can be prepared by biphenyl. This reaction will need reagent thallic trifluoroacetate, trifluoroacetic acid, trifluoromethanesulfonic acid and solvent H₂O. The reaction time is 48 hours by heating. The yield is about 87%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc2c(c1c(F)c(F)cc(F)c1F)c(F)c(F)cc2F
(2)InChI: InChI=1/C12H2F8/c13-3-1-4(14)10(18)7(9(3)17)8-11(19)5(15)2-6(16)12(8)20/h1-2H
(3)InChIKey: QWCHHUZAAGRHDB-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C12H2F8/c13-3-1-4(14)10(18)7(9(3)17)8-11(19)5(15)2-6(16)12(8)20/h1-2H
(5)Std. InChIKey: QWCHHUZAAGRHDB-UHFFFAOYSA-N