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| CAS No.: | 445-04-5 |
|---|---|
| Name: | 4-AMINO-3-(TRIFLUOROMETHYL)PHENOL |
| Molecular Structure: | |
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| Formula: | C7H6F3NO |
| Molecular Weight: | 177.126 |
| Synonyms: | 4-Amino-3-(trifluoromethyl)phenol; |
| EINECS: | 1533716-785-6 |
| Density: | 1.432 g/cm3 |
| Melting Point: | 158℃ |
| Boiling Point: | 275.92 °C at 760 mmHg |
| Flash Point: | 120.672 °C |
| PSA: | 46.25000 |
| LogP: | 2.57440 |
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Specification
The systematic name and product name of this chemical are the same which is called 4-Amino-3-(trifluoromethyl)phenol. It is an organic compound with the formula C7H6F3NO. It belongs to the product category of Phenol & Thiophenol & Mercaptan. With the CAS registry number 445-04-5, it is also known as Phenol, 4-amino-3-(trifluoromethyl)-.
Physical properties of 4-Amino-3-(trifluoromethyl)phenol: (1)ACD/LogP: 2.00; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 23; (5)ACD/BCF (pH 7.4): 22; (6)ACD/KOC (pH 5.5): 323; (7)ACD/KOC (pH 7.4): 319; (8)#H bond acceptors: 2; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.516; (12)Molar Refractivity: 37.35 cm3; (13)Molar Volume: 123.654 cm3; (14)Surface Tension: 37.173 dyne/cm; (15)Density: 1.432 g/cm3; (16)Flash Point: 120.672 °C; (17)Enthalpy of Vaporization: 53.509 kJ/mol; (18)Boiling Point: 275.92 °C at 760 mmHg; (19)Vapour Pressure: 0.003 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Nc1ccc(O)cc1C(F)(F)F
(2)InChI: InChI=1/C7H6F3NO/c8-7(9,10)5-3-4(12)1-2-6(5)11/h1-3,12H,11H2
(3)InChIKey: VORRYOXJWMUREO-UHFFFAOYAV