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| CAS No.: | 4259-29-4 |
|---|---|
| Name: | 1,3-DIBROMOHEXAFLUOROPROPANE |
| Molecular Structure: | |
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| Formula: | C3Br2F6 |
| Molecular Weight: | 309.831 |
| Synonyms: | Propane,1,3-dibromohexafluoro- (7CI,8CI);1,3-Dibromo-1,1,2,2,3,3-hexafluoropropane;1,3-Dibromohexafluoropropane;1,3-Dibromoperfluoropropane; |
| Density: | 2.257 g/cm3 |
| Boiling Point: | 75.028 °C at 760 mmHg |
| Flash Point: | -0.823 °C |
| PSA: | 0.00000 |
| LogP: | 3.59710 |
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Specification
The CAS registry number of Propane,1,3-dibromo-1,1,2,2,3,3-hexafluoro- is 4259-29-4. This chemical is also named as Hexafluorotrimethylene dibromide. In addition, its molecular formula is C3Br2F6 and molecular weight is 309.83. Its systematic name is called 1,3-Dibromohexafluoropropane.
Physical properties about Propane,1,3-dibromo-1,1,2,2,3,3-hexafluoro- are: (1)ACD/LogP: 3.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 5999; (6)ACD/BCF (pH 7.4): 5999; (7)ACD/KOC (pH 5.5): 17618; (8)ACD/KOC (pH 7.4): 17618; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.387; (13)Molar Refractivity: 32.291 cm3; (14)Molar Volume: 137.25 cm3; (15)Surface Tension: 22.257 dyne/cm; (16)Density: 2.257 g/cm3; (17)Flash Point: -0.823 °C; (18)Enthalpy of Vaporization: 30.309 kJ/mol; (19)Boiling Point: 75.028 °C at 760 mmHg; (20)Vapour Pressure: 117.214 mmHg at 25°C.
Preparation: this chemical can be prepared by hexafluoro-pentanedioic acid. This reaction will need reagents Br2, XeF2 and solvent CH2Cl2. The reaction time is 3 hours with reaction temperature of 15-20 °C. The yield is about 71 %.
Uses of Propane,1,3-dibromo-1,1,2,2,3,3-hexafluoro-: it can be used to produce 1,3-bis(fluorosulfonyloxy)hexafluoropropane at temperature of 50-60 °C. It will need reagents ClOSO2F, HSO3F, SbF5 with reaction time of 6 hours. The yield is about 78%.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(Br)(F)C(F)(F)C(Br)(F)F
(2)InChI: InChI=1/C3Br2F6/c4-2(8,9)1(6,7)3(5,10)11
(3)InChIKey: JUBPKZOWXSVBAO-UHFFFAOYAM