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| CAS No.: | 431-05-0 |
|---|---|
| Name: | 1,1-DIFLUOROACETONE |
| Article Data: | 1 |
| Molecular Structure: | |
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|
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| Formula: | C3H4F2O |
| Molecular Weight: | 94.061 |
| Synonyms: | 1,1-Difluoroacetone;1,1-Difluoropropan-2-one; |
| Density: | 1.088 g/cm3 |
| Boiling Point: | 45.3 ºC at 760 mmHg |
| Flash Point: | 1.6 ºC |
| Hazard Symbols: |
 F, Xi
|
| Risk Codes: | 10 |
| Safety: | 16-23-36/37/39 |
| PSA: | 17.07000 |
| LogP: | 0.84050 |
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Specification
The 2-Propanone,1,1-difluoro-, with the CAS registry number 431-05-0, is also known as 1,1-Difluoro-propan-2-one. This chemical's molecular formula is C3H4F2O and molecular weight is 94.06. What's more, both its IUPAC name and systematic name are the same which is called 1,1-Difluoropropan-2-one .
Physical properties about 2-Propanone,1,1-difluoro- are: (1)ACD/LogP: -0.24; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.301; (8)Molar Refractivity: 16.26 cm3; (9)Molar Volume: 86.4 cm3; (10)Surface Tension: 16 dyne/cm; (11)Density: 1.088 g/cm3; (12)Flash Point: 1.6 °C; (13)Enthalpy of Vaporization: 28.93 kJ/mol; (14)Boiling Point: 45.3 °C at 760 mmHg; (15)Vapour Pressure: 350 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes and it is flammable. It may catch fire in contact with air, only need brief contact with an ignition source and have a very low flash point or evolve highly flammable gases in contact with water. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In addition, you should keep away from sources of ignition. You can not breathe the gas/fumes/vapour/spray.
You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)C(=O)C
(2) InChI: InChI=1/C3H4F2O/c1-2(6)3(4)5/h3H,1H3
(3) InChIKey: XHILZHAQBOLGFD-UHFFFAOYAY