Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-(4-(Trifluoromethyl)phenyl)but-3-en-1-ol |
EINECS | N/A |
CAS No. | 144486-12-4 | Density | 1.187 g/cm3 |
PSA | 20.23000 | LogP | 3.31490 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H11F3O | Boiling Point | 258.947 °C at 760 mmHg |
Molecular Weight | 216.203 | Flash Point | 112.347 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-[4-(Trifluoromethyl)phenyl]but-3-en-1-ol;benzenemethanol, alpha-2-propen-1-yl-4-(trifluoromethyl)- |
Article Data | 57 |
The 1-(4-(Trifluoromethyl)phenyl)but-3-en-1-ol, with the CAS registry number 144486-12-4, is also called benzenemethanol, α-2-propen-1-yl-4-(trifluoromethyl)-. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C11H11F3O.
The characteristics of 1-(4-(Trifluoromethyl)phenyl)but-3-en-1-ol are as followings: (1)ACD/LogP: 2.71; (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): 74; (6)ACD/BCF (pH 7.4): 74; (7)ACD/KOC (pH 5.5): 756; (8)ACD/KOC (pH 7.4): 756; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 51.311 cm3; (15)Molar Volume: 182.123 cm3; (16)Polarizability: 20.341×10-24cm3; (17)Surface Tension: 29.667 dyne/cm; (18)Density: 1.187 g/cm3; (19)Flash Point: 112.347 °C; (20)Enthalpy of Vaporization: 52.464 kJ/mol; (21)Boiling Point: 258.947 °C at 760 mmHg; (22)Vapour Pressure: 0.007 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)c1ccc(cc1)C(O)C\C=C
(2)InChI: InChI=1/C11H11F3O/c1-2-3-10(15)8-4-6-9(7-5-8)11(12,13)14/h2,4-7,10,15H,1,3H2
(3)InChIKey: UNOFRSFHIUMSNW-UHFFFAOYAV