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CAS No.: | 625446-22-2 |
---|---|
Name: | 4-BROMO-2-FLUOROACETOPHENONE |
Article Data: | 19 |
Molecular Structure: | |
Formula: | C8H6BrFO |
Molecular Weight: | 217.037 |
Synonyms: | 1-(4-Bromo-2-fluorophenyl)ethanone;4-Bromo-2-fluoroacetophenone;4'-Bromo-2'-fluoroacetophenone; |
Density: | 1.535 g/cm3 |
Melting Point: | 23 °C |
Boiling Point: | 256.305 °C at 760 mmHg |
Flash Point: | 108.81 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 17.07000 |
LogP: | 2.79080 |
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The Ethanone, 1-(4-bromo-2-fluorophenyl)-, with CAS registry number 625446-22-2, belongs to the following product categories: (1)Adehydes, Acetals & Ketones; (2)Bromine Compounds; (3)Fluorine Compounds. It has the systematic name of 1-(4-bromo-2-fluorophenyl)ethanone. And the chemical formula of this chemical is C8H6BrFO.
Physical properties of Ethanone, 1-(4-bromo-2-fluorophenyl)-: (1)ACD/LogP: 2.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 28; (6)ACD/BCF (pH 7.4): 28; (7)ACD/KOC (pH 5.5): 379; (8)ACD/KOC (pH 7.4): 379; (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: 1.534; (14)Molar Refractivity: 43.965 cm3; (15)Molar Volume: 141.358 cm3; (16)Polarizability: 17.429×10-24cm3; (17)Surface Tension: 37.615 dyne/cm; (18)Enthalpy of Vaporization: 49.381 kJ/mol; (19)Vapour Pressure: 0.016 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Ethanone, 1-(4-bromo-2-fluorophenyl)- 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: CC(=O)c1ccc(cc1F)Br
(2)InChI: InChI=1/C8H6BrFO/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,1H3
(3)InChIKey: ASKFCSCYGAFWAB-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C8H6BrFO/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,1H3
(5)Std. InChIKey: ASKFCSCYGAFWAB-UHFFFAOYSA-N