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CAS No.: | 123577-99-1 |
---|---|
Name: | 3',5'-Difluoroacetophenone |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C8H6F2O |
Molecular Weight: | 156.132 |
Synonyms: | 3,5-Difluoroacetophenone; |
EINECS: | -0 |
Density: | 1.206 g/cm3 |
Melting Point: | 34-38 °C(lit.) |
Boiling Point: | 190.7 °C at 760 mmHg |
Flash Point: | 70.3 °C |
Appearance: | colorless transparent liquid or white solid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 17.07000 |
LogP: | 2.16740 |
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The Ethanone,1-(3,5-difluorophenyl)-, with CAS registry number 123577-99-1, belongs to the following product categories: (1)Other fluorin-contained compounds; (2)ACETYLGROUP; (3)Aromatic Acetophenones & Derivatives (substituted); (4)ketone; (5)Miscellaneous; (6)C7 to C8; (7)Carbonyl Compounds; (8)Ketones. It has the systematic name of 1-(3,5-difluorophenyl)ethanone. This chemical is a kind of white to light yellow crystal powder.
Physical properties of Ethanone,1-(3,5-difluorophenyl)-: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.91; (4)ACD/LogD (pH 7.4): 1.91; (5)ACD/BCF (pH 5.5): 16.54; (6)ACD/BCF (pH 7.4): 16.54; (7)ACD/KOC (pH 5.5): 259.31; (8)ACD/KOC (pH 7.4): 259.31; (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: 1.472; (14)Molar Refractivity: 36.26 cm3; (15)Molar Volume: 129.3 cm3; (16)Polarizability: 14.37×10-24cm3; (17)Surface Tension: 31.5 dyne/cm; (18)Enthalpy of Vaporization: 42.69 kJ/mol; (19)Vapour Pressure: 0.533 mmHg at 25°C.
Uses of Ethanone,1-(3,5-difluorophenyl)-: it can be used to produce 1-(3-fluoro-5-morpholin-4-yl-phenyl)-ethanone. This reaction will need reagent K2CO3. The reaction time is 72 hour(s) with reaction temperature of 150 ℃. The yield is about 48%.
When you are using this chemical, please be cautious about it as the following:
The Ethanone,1-(3,5-difluorophenyl)- 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)cc(F)c1
(2)InChI: InChI=1/C8H6F2O/c1-5(11)6-2-7(9)4-8(10)3-6/h2-4H,1H3
(3)InChIKey: OXJLDNSPGPBDCP-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C8H6F2O/c1-5(11)6-2-7(9)4-8(10)3-6/h2-4H,1H3
(5)Std. InChIKey: OXJLDNSPGPBDCP-UHFFFAOYSA-N