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CAS No.: | 354-55-2 |
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Name: | BROMOPENTAFLUOROETHANE |
Article Data: | 27 |
Molecular Structure: | |
Formula: | C2BrF5 |
Molecular Weight: | 198.918 |
Synonyms: | Ethane,bromopentafluoro- (6CI,7CI,8CI,9CI);Bromopentafluoroethane;Pentafluoroethylbromide;Perfluoroethyl bromide; |
EINECS: | 206-563-0 |
Density: | 1.948 g/cm3 |
Boiling Point: | -21°C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 23-36/37/39-38 |
Transport Information: | 3163 |
PSA: | 0.00000 |
LogP: | 2.53640 |
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The Ethane,1-bromo-1,1,2,2,2-pentafluoro-, with the CAS registry number 354-55-2, is also known as Ethane,bromopentafluoro- (6CI,7CI,8CI,9CI). Its EINECS registry number is 206-563-0. This chemical's molecular formula is C2BrF5 and molecular weight is 198.9174. What's more, both its IUPAC name and systematic name are the same which is called 1-Bromo-1,1,2,2,2-pentafluoroethane.
Physical properties about Ethane,1-bromo-1,1,2,2,2-pentafluoro- are: (1)ACD/LogP: 2.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.84; (4)ACD/LogD (pH 7.4): 2.84; (5)ACD/BCF (pH 5.5): 84.67; (6)ACD/BCF (pH 7.4): 84.67; (7)ACD/KOC (pH 5.5): 834.59; (8)ACD/KOC (pH 7.4): 834.59; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.312; (14)Molar Refractivity: 19.79 cm3; (15)Molar Volume: 102 cm3; (16)Polarizability: 7.84×10-24 cm3; (17)Surface Tension: 15.2 dyne/cm; (18)Density: 1.948 g/cm3; (19)Enthalpy of Vaporization: 22.62 kJ/mol; (20)Vapour Pressure: 3060 mmHg at 25 °C.
Preparation of Ethane,1-bromo-1,1,2,2,2-pentafluoro-: this chemical is prepared by Sodium pentafluoropropionate. This reaction needs reagent BrSO3F. The reaction time is 5 hours. The yield is 83 %. And the reaction equation is as followed:
Use of Ethane,1-bromo-1,1,2,2,2-pentafluoro-: it is used to produce other chemicals. For example, it is used to produce Pentafluoropropionic acid. The reaction occurs with reagent zinc and solvent dimethylformamide. The reaction time is 6 hours. The yield is 35.2 %. And the reaction equation is as followed:
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of insufficient ventilation, you should wear suitable respiratory equipment. In addition, do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer).
You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)C(Br)(F)F
(2) InChI: InChI=1/C2BrF5/c3-1(4,5)2(6,7)8
(3) InChIKey: USYVEDJTMCGMKN-UHFFFAOYAC