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Name |
Ethane,2,2-dibromo-1,1,1-trifluoro- |
EINECS | N/A |
CAS No. | 354-30-3 | Density | 2.31 g/cm3 |
PSA | 0.00000 | LogP | 2.66460 |
Solubility | N/A | Melting Point |
N/A |
Formula | C2HBr2F3 | Boiling Point | 75.9 °C at 760 mmHg |
Molecular Weight | 241.833 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2,2-Dibromo-1,1,1-trifluoroethane;1,1-Dibromo-2,2,2-trifluoroethane; |
The Ethane,2,2-dibromo-1,1,1-trifluoro-, with the CAS registry number 354-30-3, is also known as 1,1-Dibromo-2,2,2-trifluoroethane. This chemical's molecular formula is C2HBr2F3 and molecular weight is 241.8325. What's more, its systematic name is 2,2-Dibromo-1,1,1-trifluoroethane.
Physical properties about Ethane,2,2-dibromo-1,1,1-trifluoro- are: (1)ACD/LogP: 2.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.77; (4)ACD/LogD (pH 7.4): 2.77; (5)ACD/BCF (pH 5.5): 74.38; (6)ACD/BCF (pH 7.4): 74.38; (7)ACD/KOC (pH 5.5): 760.69; (8)ACD/KOC (pH 7.4): 760.69; (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: 1.432; (14)Molar Refractivity: 27.19 cm3; (15)Molar Volume: 104.6 cm3; (16)Polarizability: 10.78×10-24 cm3; (17)Surface Tension: 26.2 dyne/cm; (18)Density: 2.31 g/cm3; (19)Enthalpy of Vaporization: 30.38 kJ/mol; (20)Boiling Point: 75.9 °C at 760 mmHg; (21)Vapour Pressure: 113 mmHg at 25 °C.
Preparation of Ethane,2,2-dibromo-1,1,1-trifluoro-: this chemical is prepared by 1,1,1-Tribromo-2,2,2-trifluoro-ethane. This reaction needs reagents NaH2PO2, CH3COONa and solvent acetic acid at temperature of 30 °C. The reaction time is 2 hours. The yield is 88 %. 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 contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: BrC(Br)C(F)(F)F
(2) InChI: InChI=1/C2HBr2F3/c3-1(4)2(5,6)7/h1H
(3) InChIKey: YUQQQYGEDJGUCI-UHFFFAOYAZ