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| CAS No.: | 711-33-1 |
|---|---|
| Name: | 4'-(Trifluoromethyl)propiophenone |
| Article Data: | 27 |
| Molecular Structure: | |
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| Formula: | C10H9F3O |
| Molecular Weight: | 202.176 |
| Synonyms: | 1-Propanone,1-[4-(trifluoromethyl)phenyl]-;Propiophenone,4'-(trifluoromethyl)- (7CI,8CI);1-[4-(Trifluoromethyl)phenyl]-1-propanone;Ethyl 4-(trifluoromethyl)phenyl ketone;1-[4-(trifluoromethyl)phenyl]propan-1-one;1-Propanone, 1-[4-(trifluoromethyl)phenyl]-;4-(Trifluoromethyl)propiophenone;p-Trifluoromethylpropiophenone; |
| Density: | 1.182 g/cm3 |
| Melting Point: | 36-39 °C(lit.) |
| Boiling Point: | 232 °C at 760 mmHg |
| Flash Point: | 101.7 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 17.07000 |
| LogP: | 3.29810 |
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Specification
The 4'-(Trifluoromethyl)propiophenone, with cas registry number of 711-33-1, has the systematic name of 1-[4-(trifluoromethyl)phenyl]propan-1-one. It belongs to the following product categories: C10; Carbonyl Compounds; Ketones. And the molecular formula of the chemical is C10H9F3O.
The characteristics of 4'-(Trifluoromethyl)propiophenone are as followings: (1)ACD/LogP: 3.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.17; (4)ACD/LogD (pH 7.4): 3.17; (5)ACD/BCF (pH 5.5): 150.03; (6)ACD/BCF (pH 7.4): 150.03; (7)ACD/KOC (pH 5.5): 1256.92; (8)ACD/KOC (pH 7.4): 1256.92; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.449; (14)Molar Refractivity: 45.89 cm3; (15)Molar Volume: 170.9 cm3; (16)Polarizability: 18.19×10-24cm3; (17)Surface Tension: 26.9 dyne/cm; (18)Density: 1.182 g/cm3; (19)Flash Point: 101.7 °C; (20)Enthalpy of Vaporization: 46.86 kJ/mol; (21)Boiling Point: 232 °C at 760 mmHg; (22)Vapour Pressure: 0.0606 mmHg at 25°C.
Uses of 4'-(Trifluoromethyl)propiophenone: It can react with chloro-trimethyl-silane to produce trimethyl-[1-(4-trifluoromethyl-phenyl)-propenyloxy]-silane. This reaction will need reagent DBU, and the menstruum CH2Cl2. The reaction time is 4 hours with temperature of 40°C, and the yield is about 69%.
You should be cautious while dealing with 4'-(Trifluoromethyl)propiophenone. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)c1ccc(C(=O)CC)cc1;
(2)InChI: InChI=1/C10H9F3O/c1-2-9(14)7-3-5-8(6-4-7)10(11,12)13/h3-6H,2H2,1H3;
(3)InChIKey: QFKOWENRSZZLPK-UHFFFAOYAE;