Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Phenol,2,6-dinitro-4-(trifluoromethyl)- |
EINECS | N/A |
CAS No. | 393-77-1 | Density | 1.737 g/cm3 |
PSA | 111.87000 | LogP | 3.27380 |
Solubility | N/A | Melting Point |
47 °C |
Formula | C7H3F3N2O5 | Boiling Point | 227.3 °C at 760 mmHg |
Molecular Weight | 252.106 | Flash Point | 91.3 °C |
Transport Information | UN3224 | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 20/21/22 |
Molecular Structure | Hazard Symbols | Xi; T | |
Synonyms |
p-Cresol, a,a,a-trifluoro-2,6-dinitro- (7CI,8CI);2,6-Dinitro-4-(trifluoromethyl)phenol;4-(Trifluoromethyl)-2,6-dinitrophenol;4-Hydroxy-3,5-dinitrobenzotrifluoride; |
Article Data | 6 |
The Phenol,2,6-dinitro-4-(trifluoromethyl)-, with CAS registry number 393-77-1, has the systematic name of 2,6-dinitro-4-(trifluoromethyl)phenol. Besides this, it is also called Alpha,alpha,alpha-trifluoro-2,6-dinitro-p-cresol. And the chemical formula of this chemical is C7H3F3N2O5.
Physical properties of Phenol,2,6-dinitro-4-(trifluoromethyl)-: (1)ACD/LogP: 3.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.46; (4)ACD/LogD (pH 7.4): 0.27; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.89; (8)ACD/KOC (pH 7.4): 1.22; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 100.87 Å2; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 46.2 cm3; (15)Molar Volume: 145 cm3; (16)Polarizability: 18.31×10-24cm3; (17)Surface Tension: 52.4 dyne/cm; (18)Density: 1.737 g/cm3; (19)Flash Point: 91.3 °C; (20)Enthalpy of Vaporization: 48.27 kJ/mol; (21)Boiling Point: 227.3 °C at 760 mmHg; (22)Vapour Pressure: 0.052 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Phenol,2,6-dinitro-4-(trifluoromethyl)- is harmful by inhalation, in contact with skin and if swallowed. 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: O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1O)C(F)(F)F
(2)InChI: InChI=1/C7H3F3N2O5/c8-7(9,10)3-1-4(11(14)15)6(13)5(2-3)12(16)17/h1-2,13H
(3)InChIKey: FXZGYEWQIGIFMC-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C7H3F3N2O5/c8-7(9,10)3-1-4(11(14)15)6(13)5(2-3)12(16)17/h1-2,13H
(5)Std. InChIKey: FXZGYEWQIGIFMC-UHFFFAOYSA-N