Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Ethanone,1-(4-bromo-3-fluorophenyl)- |
EINECS | N/A |
CAS No. | 304445-49-6 | Density | 1.535 g/cm3 |
PSA | 17.07000 | LogP | 2.79080 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H6BrFO | Boiling Point | 263.3 °C at 760 mmHg |
Molecular Weight | 217.037 | Flash Point | 113 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-(4-Bromo-3-fluorophenyl)ethanone; |
Article Data | 11 |
The Ethanone,1-(4-bromo-3-fluorophenyl)-, with the CAS registry number 304445-49-6, is also known as 4-Bromo-3-fluoro-acetophenone. This chemical's molecular formula is C8H6BrFO and molecular weight is 217.04. Its systematic name is called 1-(4-bromo-3-fluorophenyl)ethanone.
Physical properties of Ethanone,1-(4-bromo-3-fluorophenyl)-: (1)ACD/LogP: 2.45; (2)ACD/LogD (pH 5.5): 2.44; (3)ACD/LogD (pH 7.4): 2.44; (4)ACD/BCF (pH 5.5): 42.46; (5)ACD/BCF (pH 7.4): 42.46; (6)ACD/KOC (pH 5.5): 509.24; (7)ACD/KOC (pH 7.4): 509.24; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.534; (11)Molar Refractivity: 43.96 cm3; (12)Molar Volume: 141.3 cm3; (13)Surface Tension: 37.6 dyne/cm; (14)Density: 1.535 g/cm3; (15)Flash Point: 113 °C; (16)Enthalpy of Vaporization: 50.11 kJ/mol; (17)Boiling Point: 263.3 °C at 760 mmHg; (18)Vapour Pressure: 0.0104 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(ccc1Br)C(C)=O
(2)InChI: InChI=1/C8H6BrFO/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,1H3
(3)InChIKey: VCTWSAITPPCBHI-UHFFFAOYAM