Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-(4-Chlorophenyl)-2-fluoroethanone |
EINECS | N/A |
CAS No. | 329-78-2 | Density | 1.247 g/cm3 |
PSA | 17.07000 | LogP | 2.49220 |
Solubility | N/A | Melting Point |
54 °C |
Formula | C8H6ClFO | Boiling Point | 260.3 °C at 760 mmHg |
Molecular Weight | 172.586 | Flash Point | 111.2 °C |
Transport Information | UN 1759 | Appearance | light yellow or yellow crystal |
Safety | 26-36/37/39 | Risk Codes | 34-36/37/38 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Acetophenone,4'-chloro-2-fluoro- (6CI,7CI,8CI);NSC 265872; |
Article Data | 19 |
The Ethanone,1-(4-chlorophenyl)-2-fluoro-, with CAS registry number 329-78-2, belongs to the following product category: Acetylhalide. Its systematic name and its IUPAC name are the same, which is 1-(4-chlorophenyl)-2-fluoroethanone. And the chemical formula of this chemical is C8H6ClFO.
Physical properties of Ethanone,1-(4-chlorophenyl)-2-fluoro-: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.509; (8)Molar Refractivity: 41.33 cm3; (9)Molar Volume: 138.3 cm3; (10)Polarizability: 16.38×10-24cm3; (11)Surface Tension: 35.5 dyne/cm; (12)Enthalpy of Vaporization: 49.79 kJ/mol; (13)Vapour Pressure: 0.0124 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Ethanone,1-(4-chlorophenyl)-2-fluoro- irritates to eyes, respiratory system and skin. And it may causes burns. 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: O=C(c1ccc(Cl)cc1)CF
(2)InChI: InChI=1/C8H6ClFO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5H2
(3)InChIKey: PYJRFTYRPATKFJ-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C8H6ClFO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5H2
(5)Std. InChIKey: PYJRFTYRPATKFJ-UHFFFAOYSA-N