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| CAS No.: | 453-14-5 |
|---|---|
| Name: | 1,3-Difluoroacetone |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C3H4F2O |
| Molecular Weight: | 94.061 |
| Synonyms: | 1,3-Difluoro-2-propanone;1,3-Difluoroacetone;NSC 21301;sym-Difluoroacetone; |
| Density: | 1.092g/cm3 |
| Boiling Point: | 85.7°C at 760mmHg |
| Flash Point: | 22°C |
| Hazard Symbols: |
 T
|
| Risk Codes: | 10 |
| Safety: | 16-23-36/37/39 |
| PSA: | 17.07000 |
| LogP: | 0.49450 |
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Specification
The cas register number of 1,3-Difluoroacetone is 453-14-5. It also can be called as 2-propanone, 1,3-difluoro- and the Systematic name about this chemical is 1,3-difluoropropan-2-one.
Physical properties about 1,3-Difluoroacetone are: (1)ACD/LogP: -0.54; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 17.07Å2; (7)Index of Refraction: 1.304; (8)Molar Refractivity: 16.3 cm3; (9)Molar Volume: 86 cm3; (10)Surface Tension: 17.3 dyne/cm; (11)Density: 1.092 g/cm3; (12)Flash Point: 22 °C; (13)Enthalpy of Vaporization: 32.61 kJ/mol; (14)Boiling Point: 85.7 °C at 760 mmHg; (15)Vapour Pressure: 68.5 mmHg at 25°C.
Uses of 1,3-Difluoroacetone: It reacts with 2-amino-2-phenyl-ethanol to get 2-(2-fluoro-1-fluoromethyl-ethylideneamino)-2-phenyl-ethanol. This reaction needs solvent benzene at temperature of 80 °C. The reaction time is 3 hours. The yield is 80 %.
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When you are using this chemical, please be cautious about it as the following:
It is flammable. Keep it away from sources of ignition. S23:Do not breathe vapour. People must wear suitable protective clothing, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1.SMILES: FCC(=O)CF
2.InChI: InChI=1/C3H4F2O/c4-1-3(6)2-5/h1-2H2
3.InChIKey: HKIPCXRNASWFRU-UHFFFAOYAC
4.Std. InChI: InChI=1S/C3H4F2O/c4-1-3(6)2-5/h1-2H2