| Identification | |
| Name: | Phenol,2,6-difluoro-4-nitro- |
| Synonyms: | 2,6-Difluoro-4-nitrophenol;4-Nitro-2,6-difluorophenol;phenol, 2,6-difluoro-4-nitro-; |
| CAS: | 658-07-1 |
| Molecular Formula: | C6H3F2NO3 |
| Molecular Weight: | 0 |
| InChI: | InChI=1/C6H3F2NO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.619 g/cm3 |
| Refractive index: | 1.554 |
| Specification: |
The 2,6-Difluoro-4-nitrophenol, with the CAS registry number 658-07-1, has the systematic name of 2,6-difluoro-4-nitrophenol, and it is also called phenol, 2,6-difluoro-4-nitro-. The molecular formula of the chemical is C6H3F2NO3. The characteristics of this chemical are as followings: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.62; (4)ACD/LogD (pH 7.4): -0.97; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.06; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.05 Å2; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 34.66 cm3; (15)Molar Volume: 108.1 cm3; (16)Polarizability: 13.74×10-24cm3; (17)Surface Tension: 53.2 dyne/cm; (18)Density: 1.619 g/cm3; (19)Flash Point: 107.7 °C; (20)Enthalpy of Vaporization: 51.18 kJ/mol; (21)Boiling Point: 254.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0107 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
| Safety Data | |
 |
|
