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Name |
Phenol, 2-amino-3-(trifluoromethyl)- |
EINECS | N/A |
CAS No. | 106877-48-9 | Density | 1.432 g/cm3 |
PSA | 46.25000 | LogP | 2.57440 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H6F3NO | Boiling Point | 229.1 °C at 760 mmHg |
Molecular Weight | 177.12 | Flash Point | 92.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Amino-3-(trifluoromethyl)phenol; |
Article Data | 2 |
The Phenol, 2-amino-3-(trifluoromethyl)- has the CAS registry number 106877-48-9. This chemical's molecular formula is C7H6F3NO and molecular weight is 177.12. What's more, its systematic name is 2-amino-3-(trifluoromethyl)phenol.
Physical properties of Phenol, 2-amino-3-(trifluoromethyl)- are: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.81; (4)ACD/LogD (pH 7.4): 2.79; (5)ACD/BCF (pH 5.5): 80.59; (6)ACD/BCF (pH 7.4): 77.39; (7)ACD/KOC (pH 5.5): 805.46; (8)ACD/KOC (pH 7.4): 773.52; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.25 Å2; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 37.35 cm3; (15)Molar Volume: 123.6 cm3; (16)Polarizability: 14.8×10-24cm3; (17)Surface Tension: 37.1 dyne/cm; (18)Density: 1.432 g/cm3; (19)Flash Point: 92.3 °C; (20)Enthalpy of Vaporization: 48.46 kJ/mol; (21)Boiling Point: 229.1 °C at 760 mmHg; (22)Vapour Pressure: 0.047 mmHg at 25°C.
Preparation of Phenol, 2-amino-3-(trifluoromethyl)-: this chemical can be prepared by 2-amino-phenol and bromo-trifluoro-methane at the temperature of 65 °C. This reaction will need reagents Zn, Na2S2O5, SO2, 2-methylpyridine and solvent dimethylformamide with the reaction time of 2 hours. The yield is about 30%.
You can still convert the following datas into molecular structure:
(1)SMILES: Nc1c(cccc1O)C(F)(F)F
(2)InChI: InChI=1S/C7H6F3NO/c8-7(9,10)4-2-1-3-5(12)6(4)11/h1-3,12H,11H2
(3)InChIKey: ATJGAHFTSOPTCH-UHFFFAOYSA-N