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CAS No.: | 151945-84-5 |
---|---|
Name: | 4-CHLORO-3-FLUOROACETOPHENONE |
Molecular Structure: | |
Formula: | C8H6ClFO |
Molecular Weight: | 172.586 |
Synonyms: | 1-(4-Chloro-3-fluorophenyl)ethanone;4-Chloro-3-fluoroacetophenone; |
Density: | 1.258 g/cm3 |
Melting Point: | 41.0 to 45.0 °C |
Boiling Point: | 247.6 °C at 760 mmHg |
Flash Point: | 103.5 °C |
Solubility: | Slightly soluble in water. |
Hazard Symbols: | Xi |
Risk Codes: | R36/37/38 |
PSA: | 17.07000 |
LogP: | 2.68170 |
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This chemical is called 4-chloro-3-fluoroacetophenone, and its systematic name is 1-(4-chloro-3-fluorophenyl)ethanone. With the molecular formula of C8H6ClFO, its molecular weight is 172.58. The CAS registry number of this chemical is 151945-84-5, and its product categories are Aromatic Acetophenones & Derivatives (substituted).
Other characteristics of the 4-chloro-3-fluoroacetophenone can be summarised as followings: (1)ACD/LogP: 2.56; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.512; (8)Molar Refractivity: 41.16 cm3; (9)Molar Volume: 137.1 cm3; (10)Polarizability: 16.32×10-24cm3; (11)Surface Tension: 35.8 dyne/cm; (12)Density: 1.258 g/cm3; (13)Flash Point: 103.5 °C; (14)Enthalpy of Vaporization: 48.48 kJ/mol; (15)Boiling Point: 247.6 °C at 760 mmHg; (16)Vapour Pressure: 0.0254 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Fc1cc(C(=O)C)ccc1Cl
2.InChI: InChI=1/C8H6ClFO/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,1H3
3.InChIKey: ATZHNDSADJDUPJ-UHFFFAOYAP