1-(4-(Trifluoromethyl)phenyl)but-3-en-1-ol supplier

Name
1-(4-(Trifluoromethyl)phenyl)but-3-en-1-ol
EINECS
CAS No. 144486-12-4
Article Data57
CAS DataBase
Density 1.187 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₁F₃O
Boiling Point 258.947 °C at 760 mmHg
Molecular Weight 216.203
Flash Point 112.347 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-[4-(Trifluoromethyl)phenyl]but-3-en-1-ol;benzenemethanol, alpha-2-propen-1-yl-4-(trifluoromethyl)-
PSA 20.23000
LogP 3.31490

1-(4-(Trifluoromethyl)phenyl)but-3-en-1-ol Specification

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

Product Name

1-(4-(Trifluoromethyl)phenyl)but-3-en-1-ol

1-(4-(Trifluoromethyl)phenyl)but-3-en-1-ol Specification

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