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CAS No.: | 18599-22-9 |
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Name: | 4-BROMO-3,3,4,4-TETRAFLUORO-1-BUTENE |
Molecular Structure: | |
Formula: | C4H3BrF4 |
Molecular Weight: | 206.965 |
Synonyms: | 4-Bromo-3,3,4,4-tetrafluoro-1-butene; |
EINECS: | 242-440-8 |
Density: | 1.659 g/cm3 |
Boiling Point: | 81.4 °C at 760 mmHg |
Flash Point: | 55-57°C |
Solubility: | 85.34mg/L at 20℃ |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
Transport Information: | 1993 |
PSA: | 0.00000 |
LogP: | 2.79540 |
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This chemical is called 4-Bromo-3,3,4,4-tetrafluorobut-1-ene, and its IUPAC name is 4-bromo-3,3,4,4-tetrafluorobut-1-ene. With the molecular formula of C4H3BrF4, its CAS registry number is 18599-22-9. In addition, this chemical should be sealed in the ventilated and dry place, away from oxides.
Other characteristics of the 4-Bromo-3,3,4,4-tetrafluorobut-1-ene can be summarised as followings: (1)ACD/LogP: 2.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.97; (4)ACD/LogD (pH 7.4): 2.97; (5)ACD/BCF (pH 5.5): 107.27; (6)ACD/BCF (pH 7.4): 107.27; (7)ACD/KOC (pH 5.5): 988.63; (8)ACD/KOC (pH 7.4): 988.63; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.376; (13)Molar Refractivity: 28.62 cm3; (14)Molar Volume: 124.7 cm3; (15)Polarizability: 11.34×10-24cm3; (16)Surface Tension: 19 dyne/cm; (17)Density: 1.659 g/cm3; (18)Enthalpy of Vaporization: 30.87 kJ/mol; (19)Boiling Point: 81.4 °C at 760 mmHg; (20)Vapour Pressure: 91.1 mmHg at 25°C.
Uses of this chemical: The 4-Bromo-3,3,4,4-tetrafluorobut-1-ene could react with difluoro-diiodo-methane, and obtain the 1-bromo-1,1,2,2,5,5-hexafluoro-3,5-diiodo-pentane. The yield is 56 %.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(\C=C)C(Br)(F)F
2.InChI: InChI=1/C4H3BrF4/c1-2-3(6,7)4(5,8)9/h2H,1H2
3.InChIKey: GVCWGFZDSIWLMO-UHFFFAOYAW