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| CAS No.: | 421-70-5 |
|---|---|
| Name: | 1-BROMO-2-IODOTETRAFLUOROETHANE |
| Molecular Structure: | |
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|
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| Formula: | C2BrF4I |
| Molecular Weight: | 306.824 |
| Synonyms: | 1-Bromo-1,1,2,2-tetrafluoro-2-iodoethane;1-Bromo-2-iodo-1,1,2,2-tetrafluoroethane;1-Bromo-2-iodoperfluoroethane;1-Bromotetrafluoro-2-iodoethane;1-Bromo-2-iodotetrafluoroethane;1-Iodo-2-bromotetrafluoroethane;2-Iodo-1-bromotetrafluoroethane; |
| EINECS: | 207-008-5 |
| Density: | 2.657 g/cm3 |
| Boiling Point: | 78.8 °C at 760 mmHg |
| Flash Point: | 1.4 °C |
| Hazard Symbols: |
 T
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | 2810 |
| PSA: | 0.00000 |
| LogP: | 3.00190 |
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Specification
The Ethane,1-bromo-1,1,2,2-tetrafluoro-2-iodo-, with the CAS registry number 421-70-5, is also known as 1-Bromo-2-iodoperfluoroethane. Its EINECS registry number is 207-008-5. This chemical's molecular formula is C2BrF4I and molecular weight is 306.8235. What's more, both its IUPAC name and systematic name are the same which is called 1-Bromo-1,1,2,2-tetrafluoro-2-iodoethane.
Physical properties about Ethane,1-bromo-1,1,2,2-tetrafluoro-2-iodo- are: (1)ACD/LogP: 3.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.97; (4)ACD/LogD (pH 7.4): 3.97; (5)ACD/BCF (pH 5.5): 615.33; (6)ACD/BCF (pH 7.4): 615.33; (7)ACD/KOC (pH 5.5): 3451.8; (8)ACD/KOC (pH 7.4): 3451.8; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.476; (14)Molar Refractivity: 32.6 cm3; (15)Molar Volume: 115.4 cm3; (16)Polarizability: 12.92×10-24 cm3; (17)Surface Tension: 28.2 dyne/cm; (18)Density: 2.657 g/cm3; (19)Flash Point: 1.4 °C; (20)Enthalpy of Vaporization: 30.64 kJ/mol; (21)Boiling Point: 78.8 °C at 760 mmHg; (22)Vapour Pressure: 101 mmHg at 25 °C.
Use of Ethane,1-bromo-1,1,2,2-tetrafluoro-2-iodo-: it is used to produce other chemicals. For example, it is used to produce 1-Bromo-1,1,2,2-tetrafluoro-4-iododecane. The reaction occurs with reagents Cp2TiCl2, Fe and solvent ethanol at temperature of 55 °C. The reaction time is 10 hours. The yield is 96 %. And the reaction equation is as followed:
When you are dealing with this chemical, you should be very careful. This chemical is harmful by inhalation, in contact with skin and if swallowed. In addition, it is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible)
You can still convert the following datas into molecular structure:
(1) SMILES: BrC(F)(F)C(F)(F)I
(2) InChI: InChI=1/C2BrF4I/c3-1(4,5)2(6,7)8
(3) InChIKey: ZYNPYKGTNSXKPI-UHFFFAOYAU