Phenol, 2-amino-3-(trifluoromethyl)- supplier

Name
2-aMino-3-(trifluoroMethyl)phenol
EINECS
CAS No. 106877-48-9
Article Data2
CAS DataBase
Density 1.432 g/cm³
Solubility
Melting Point
Formula C₇H₆F₃NO
Boiling Point 229.1 °C at 760 mmHg
Molecular Weight 177.12
Flash Point 92.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Amino-3-(trifluoromethyl)phenol;
PSA 46.25000
LogP 2.57440

Phenol, 2-amino-3-(trifluoromethyl)- Specification

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%.

Phenol, 2-amino-3-(trifluoromethyl)- can be prepared by 2-amino-phenol and bromo-trifluoro-methane at the temperature of 65 °C

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

Product Name

2-aMino-3-(trifluoroMethyl)phenol

Phenol, 2-amino-3-(trifluoromethyl)- Specification

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