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| CAS No.: | 354-56-3 |
|---|---|
| Name: | FLUOROPENTACHLOROETHANE |
| Molecular Structure: | |
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| Formula: | C2Cl5F |
| Molecular Weight: | 220.285 |
| Synonyms: | Ethane,pentachlorofluoro- (6CI,7CI,8CI,9CI);1,1,1,2,2-Pentachloro-2-fluoroethane;CFC111;Fluoropentachloroethane;Freon 111;Freon 112a;Pentachlorofluoroethane; |
| Density: | 1.776 g/cm3 |
| Melting Point: | 100-101 °C |
| Boiling Point: | 136.7 °C at 760 mmHg |
| Flash Point: | 40.8 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 0.00000 |
| LogP: | 3.45750 |
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Specification
The Ethane,1,1,1,2,2-pentachloro-2-fluoro-, with the CAS registry number 354-56-3, is also known as Ethane,pentachlorofluoro- (6CI,7CI,8CI,9CI). It belongs to the product categories of CFC; refrigerants. This chemical's molecular formula is C2Cl5F and molecular weight is 220.2848. What's more, both its IUPAC name and systematic name are the same which is called 1,1,1,2,2-Pentachloro-2-fluoroethane.
Physical properties about Ethane,1,1,1,2,2-pentachloro-2-fluoro- are: (1)ACD/LogP: 4.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.02; (4)ACD/LogD (pH 7.4): 4.02; (5)ACD/BCF (pH 5.5): 667.3; (6)ACD/BCF (pH 7.4): 667.3; (7)ACD/KOC (pH 5.5): 3658.07; (8)ACD/KOC (pH 7.4): 3658.07; (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: 1.486; (14)Molar Refractivity: 35.65 cm3; (15)Molar Volume: 124 cm3; (16)Polarizability: 14.13×10-24 cm3; (17)Surface Tension: 35.9 dyne/cm; (18)Density: 1.776 g/cm3; (19)Flash Point: 40.8 °C; (20)Enthalpy of Vaporization: 35.86 kJ/mol; (21)Boiling Point: 136.7 °C at 760 mmHg; (22)Vapour Pressure: 9.04 mmHg at 25 °C.
Preparation of Ethane,1,1,1,2,2-pentachloro-2-fluoro-: this chemical is prepared by Acetic acid ethyl ester and Tetrachloroethene. This reaction needs reagent ClF and solvent 1,1,2-trichloro-1,2,2-trifluoro-ethane. The yield is 68 %. 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. 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: ClC(Cl)(Cl)C(Cl)(Cl)F
(2) InChI: InChI=1/C2Cl5F/c3-1(4,5)2(6,7)8
(3) InChIKey: KQKBWZDTYSQPMD-UHFFFAOYAV