Basic Information | Post buying leads | Suppliers |
Name |
4-Fluoro-2-trifluoromethylphenol |
EINECS | N/A |
CAS No. | 130047-19-7 | Density | 1.434 g/cm3 |
PSA | 20.23000 | LogP | 2.55010 |
Solubility | N/A | Melting Point |
50-54℃ |
Formula | C7H4F4O | Boiling Point | 169.3 °C at 760 mmHg |
Molecular Weight | 180.102 | Flash Point | 56.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 20/21/22-36/37/38 |
Molecular Structure | Hazard Symbols | T | |
Synonyms |
2-(Trifluoromethyl)-4-fluorophenol; |
The Phenol,4-fluoro-2-(trifluoromethyl)-, with CAS registry number 130047-19-7, belongs to the following product categories: (1)Aromatic Phenols; (2)Phenol & Thiophenol & Mercaptan. It has the systematic name of 4-fluoro-2-(trifluoromethyl)phenol. And the chemical formula of this chemical is C7H4F4O.
Physical properties of Phenol,4-fluoro-2-(trifluoromethyl)-: (1)ACD/LogP: 2.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.8; (4)ACD/LogD (pH 7.4): 2.7; (5)ACD/BCF (pH 5.5): 78.65; (6)ACD/BCF (pH 7.4): 62.83; (7)ACD/KOC (pH 5.5): 790.96; (8)ACD/KOC (pH 7.4): 631.85; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.44; (14)Molar Refractivity: 33.1 cm3; (15)Molar Volume: 125.5 cm3; (16)Polarizability: 13.12×10-24cm3; (17)Surface Tension: 27.1 dyne/cm; (18)Density: 1.434 g/cm3; (19)Flash Point: 56.2 °C; (20)Enthalpy of Vaporization: 42.24 kJ/mol; (21)Boiling Point: 169.3 °C at 760 mmHg; (22)Vapour Pressure: 1.17 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(F)ccc1O
(2)InChI: InChI=1/C7H4F4O/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3,12H
(3)InChIKey: RNOVGJWJVRESAA-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C7H4F4O/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3,12H
(5)Std. InChIKey: RNOVGJWJVRESAA-UHFFFAOYSA-N