-
Name
Benzenemethanol, a-ethyl-3,5-bis(trifluoromethyl)-,(-)-
- EINECS
- CAS No. 184888-50-4
- Article Data5
- CAS DataBase
- Density 1.334 g/cm3
- Solubility
- Melting Point
- Formula C11H10F6O
- Boiling Point 197.651 °C at 760 mmHg
- Molecular Weight 272.19
- Flash Point 73.337 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1-[3,5-Bis(trifluoromethyl)phenyl]propanol-1;
- PSA 20.23000
- LogP 4.16760
Benzenemethanol, a-ethyl-3,5-bis(trifluoromethyl)-,(-)- Specification
The Benzenemethanol, a-ethyl-3,5-bis(trifluoromethyl)-,(-)-, with the CAS registry number 184888-50-4, is also known as 1-[3,5-Bis(trifluoromethyl)phenyl]propanol-1. This chemical's molecular formula is C11H10F6O and molecular weight is 272.1869. What's more, its systematic name is 1-[3,5-Bis(trifluoromethyl)phenyl]propan-1-ol.
Physical properties about Benzenemethanol, a-ethyl-3,5-bis(trifluoromethyl)-,(-)- are: (1)ACD/LogP: 3.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 202; (6)ACD/BCF (pH 7.4): 202; (7)ACD/KOC (pH 5.5): 1557; (8)ACD/KOC (pH 7.4): 1557; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.423; (14)Molar Refractivity: 51.933 cm3; (15)Molar Volume: 204.033 cm3; (16)Polarizability: 20.588×10-24 cm3; (17)Surface Tension: 24.398 dyne/cm; (18)Density: 1.334 g/cm3; (19)Flash Point: 73.337 °C; (20)Enthalpy of Vaporization: 45.869 kJ/mol; (21)Boiling Point: 197.651 °C at 760 mmHg; (22)Vapour Pressure: 0.232 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(O)CC
(2) InChI: InChI=1/C11H10F6O/c1-2-9(18)6-3-7(10(12,13)14)5-8(4-6)11(15,16)17/h3-5,9,18H,2H2,1H3
(3) InChIKey: MBQJJEHEDHLDBO-UHFFFAOYAG
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