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CAS No.: | 129322-83-4 |
---|---|
Name: | 2',4',5'-Trifluoroacetophenone |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C8H5F3O |
Molecular Weight: | 174.122 |
Synonyms: | 1-(2,4,5-Trifluorophenyl)ethanone;2,4,5-Trifluoroacetophenone; |
EINECS: | 207-220-8 |
Density: | 1.331 g/cm3 |
Melting Point: | -7 |
Boiling Point: | 199.8 °C at 760 mmHg |
Flash Point: | 71.1 °C |
Appearance: | Clear yellow liquid |
Hazard Symbols: | Xi, F |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 17.07000 |
LogP: | 2.30650 |
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The Ethanone,1-(2,4,5-trifluorophenyl)-, with CAS registry number 129322-83-4, belongs to the following product categories: (1)Aromatic Acetophenones & Derivatives (substituted); (2)C7 to C8; (3)Carbonyl Compounds; (4)Ketones. It has the systematic name of 1-(2,4,5-trifluorophenyl)ethanone. This chemical is a kind of clear yellow liquid. And it should be stored in a dry cool place.
Physical properties of Ethanone,1-(2,4,5-trifluorophenyl)-: (1)ACD/LogP: 1.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.47; (4)ACD/LogD (pH 7.4): 1.47; (5)ACD/BCF (pH 5.5): 7.67; (6)ACD/BCF (pH 7.4): 7.67; (7)ACD/KOC (pH 5.5): 149.58; (8)ACD/KOC (pH 7.4): 149.58; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.455; (14)Molar Refractivity: 36.26 cm3; (15)Molar Volume: 133.5 cm3; (16)Polarizability: 14.37×10-24cm3; (17)Surface Tension: 30.4 dyne/cm; (18)Enthalpy of Vaporization: 43.6 kJ/mol; (19)Vapour Pressure: 0.335 mmHg at 25°C.
Preparation: this chemical can be prepared by acetyl chloride and 1,2,4-trifluoro-benzene. This reaction will need reagent aluminum chloride.
Uses of Ethanone,1-(2,4,5-trifluorophenyl)-: it can be used to produce 2,4,5-trifluoro-benzoic acid. This reaction will need reagents sodium hydroxide, sodium hypochlorite and H2O. The reaction time is 22 hour(s). The yield is about 94%.
When you are using this chemical, please be cautious about it as the following:
The Ethanone,1-(2,4,5-trifluorophenyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(C(=O)C)c(F)cc1F
(2)InChI: InChI=1/C8H5F3O/c1-4(12)5-2-7(10)8(11)3-6(5)9/h2-3H,1H3
(3)InChIKey: GVTLJUZWNNFHMZ-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H5F3O/c1-4(12)5-2-7(10)8(11)3-6(5)9/h2-3H,1H3
(5)Std. InChIKey: GVTLJUZWNNFHMZ-UHFFFAOYSA-N