-
Name
3-(2-CHLOROPHENYL)-1,1,1-TRIFLUORO-2-PROPANONE
- EINECS
- CAS No. 150322-79-5
- Density 1.355 g/cm3
- Solubility
- Melting Point
- Formula C9H6ClF3O
- Boiling Point 219.7 °C at 760 mmHg
- Molecular Weight 222.59
- Flash Point 86.7 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 3-(2-Chlorophenyl)-1,1,1-trifluoro-2-propanone;3-(2-Chlorophenyl)-1,1,1-trifluoropropan-2-one;3-(2-Chlorophenyl)-1,1,1-trifluoroacetone;
- PSA 17.07000
- LogP 3.01390
2-Propanone,3-(2-chlorophenyl)-1,1,1-trifluoro- Specification
The 2-Propanone,3-(2-chlorophenyl)-1,1,1-trifluoro-, with the CAS registry number 150322-79-5, is also known as 3-(2-Chlorophenyl)-1,1,1-trifluoro-2-propanone. This chemical's molecular formula is C9H6ClF3O and molecular weight is 222.59. What's more, its systematic name is 3-(2-Chlorophenyl)-1,1,1-trifluoropropan-2-one.
Physical properties of 2-Propanone,3-(2-chlorophenyl)-1,1,1-trifluoro- are: (1)ACD/LogP: 3.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.18; (4)ACD/LogD (pH 7.4): 3.18; (5)ACD/BCF (pH 5.5): 152.51; (6)ACD/BCF (pH 7.4): 152.51; (7)ACD/KOC (pH 5.5): 1271.78; (8)ACD/KOC (pH 7.4): 1271.78; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.469; (14)Molar Refractivity: 45.81 cm3; (15)Molar Volume: 164.2 cm3; (16)Polarizability: 18.16×10-24 cm3; (17)Surface Tension: 31.2 dyne/cm; (18)Density: 1.355 g/cm3; (19)Flash Point: 86.7 °C; (20)Enthalpy of Vaporization: 45.61 kJ/mol; (21)Boiling Point: 219.7 °C at 760 mmHg; (22)Vapour Pressure: 0.117 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccccc1CC(=O)C(F)(F)F
(2)InChI: InChI=1S/C9H6ClF3O/c10-7-4-2-1-3-6(7)5-8(14)9(11,12)13/h1-4H,5H2
(3)InChIKey: HTVFTIRDIQLOTN-UHFFFAOYSA-N
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