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CAS No.: | 68318-95-6 |
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Name: | 2-BROMO-3,3,4,4,4-PENTAFLUORO-1-BUTENE |
Molecular Structure: | |
Formula: | C4H2BrF5 |
Molecular Weight: | 224.956 |
Synonyms: | 2-Bromo-3,3,4,4,4-pentafluoro-1-butene;2-Bromo-3,3,4,4,4-pentafluorobut-1-ene; |
Density: | 1.73 g/cm3 |
Boiling Point: | 75.1 °C at 760 mmHg |
Hazard Symbols: | Xi |
PSA: | 0.00000 |
LogP: | 3.09260 |
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The CAS register number of 1-Butene,2-bromo-3,3,4,4,4-pentafluoro- is 68318-95-6. It also can be called as 2-Bromo-3,3,4,4,4-pentafluoro-1-butene and the systematic name about this chemical is 2-bromo-3,3,4,4,4-pentafluorobut-1-ene. The molecular formula about this chemical is C4H2BrF5 and the molecular weight is 224.95.
Physical properties about 1-Butene,2-bromo-3,3,4,4,4-pentafluoro- are: (1)ACD/LogP: 4.82; (2)ACD/LogD (pH 5.5): 4.82; (3)ACD/LogD (pH 7.4): 4.82; (4)ACD/BCF (pH 5.5): 2727.91; (5)ACD/BCF (pH 7.4): 2727.91; (6)ACD/KOC (pH 5.5): 10022.19; (7)ACD/KOC (pH 7.4): 10022.19; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.359; (10)Molar Refractivity: 28.63 cm3; (11)Molar Volume: 129.9 cm3; (12)Polarizability: 11.35x10-24cm3; (13)Surface Tension: 17.6 dyne/cm; (14)Density: 1.73 g/cm3; (15)Enthalpy of Vaporization: 30.31 kJ/mol; (16)Boiling Point: 75.1 °C at 760 mmHg; (17)Vapour Pressure: 117 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(C(\Br)=C)C(F)(F)F
(2)InChI: InChI=1/C4H2BrF5/c1-2(5)3(6,7)4(8,9)10/h1H2
(3)InChIKey: AAYAPGNGKQASNS-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C4H2BrF5/c1-2(5)3(6,7)4(8,9)10/h1H2
(5)Std. InChIKey: AAYAPGNGKQASNS-UHFFFAOYSA-N