Basic Information | Post buying leads | Suppliers |
Name |
4-Fluoro-2-(trifluoromethyl)benzyl alcohol |
EINECS | -0 |
CAS No. | 220227-29-2 | Density | 1.377 g/cm3 |
PSA | 20.23000 | LogP | 2.33680 |
Solubility | N/A | Melting Point |
55-57°C |
Formula | C8H6F4O | Boiling Point | 189.5 °C at 760 mmHg |
Molecular Weight | 194.13 | Flash Point | 68.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36 | Risk Codes | 36/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
4-Fluoro-2-trifluoromethylbenzylalcohol; |
The Benzenemethanol,4-fluoro-2-(trifluoromethyl)-, with CAS registry number 220227-29-2, belongs to the following product category: Benzhydrols, Benzyl & Special Alcohols. It has the systematic name of [4-fluoro-2-(trifluoromethyl)phenyl]methanol. And the chemical formula of this chemical is C8H6F4O.
Physical properties of Benzenemethanol,4-fluoro-2-(trifluoromethyl)-: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.5; (4)ACD/LogD (pH 7.4): 1.5; (5)ACD/BCF (pH 5.5): 8.11; (6)ACD/BCF (pH 7.4): 8.11; (7)ACD/KOC (pH 5.5): 155.72; (8)ACD/KOC (pH 7.4): 155.72; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.447; (14)Molar Refractivity: 37.67 cm3; (15)Molar Volume: 140.9 cm3; (16)Polarizability: 14.93×10-24cm3; (17)Surface Tension: 28.3 dyne/cm; (18)Density: 1.377 g/cm3; (19)Flash Point: 68.4 °C; (20)Enthalpy of Vaporization: 45.01 kJ/mol; (21)Boiling Point: 189.5 °C at 760 mmHg; (22)Vapour Pressure: 0.361 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Benzenemethanol,4-fluoro-2-(trifluoromethyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(c(cc1)CO)C(F)(F)F
(2)InChI: InChI=1/C8H6F4O/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-3,13H,4H2
(3)InChIKey: QCDWCMMCVRWROH-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C8H6F4O/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-3,13H,4H2
(5)Std. InChIKey: QCDWCMMCVRWROH-UHFFFAOYSA-N