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Name |
2-Chloro-1-(4-chlorophenyl)-2,2-difluoro-ethanone |
EINECS | N/A |
CAS No. | 774-29-8 | Density | 1.449 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H4Cl2F2O | Boiling Point | 251.2 °C at 760 mmHg |
Molecular Weight | 225.022 | Flash Point | 105.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
NSC 42610; |
The 2-Chloro-1-(4-chlorophenyl)-2, 2-difluoro-ethanone, with the CAS registry number 774-29-8, is also known as NSC 42610. This chemical's molecular formula is C8H4Cl2F2O and molecular weight is 225.019566. What's more, its IUPAC name is 2-Chloro-1-(4-chlorophenyl)-2, 2-difluoroethanone.
Physical properties about 2-Chloro-1-(4-chlorophenyl)-2, 2-difluoro-ethanone are: (1)ACD/LogP: 3.34; (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: 1.508; (8)Molar Refractivity: 46.31 cm3; (9)Molar Volume: 155.2 cm3; (10)Polarizability: 18.36×10-24 cm3; (11)Surface Tension: 36.2 dyne/cm; (12)Density: 1.449 g/cm3; (13)Flash Point: 105.7 °C; (14)Enthalpy of Vaporization: 48.85 kJ/mol; (15)Boiling Point: 251.2 °C at 760 mmHg; (16)Vapour Pressure: 0.0208 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc(Cl)cc1)C(Cl)(F)F
(2) InChI: InChI=1/C8H4Cl2F2O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4H
(3) InChIKey: ZMCFDDNVCUMJHA-UHFFFAOYAJ