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Name |
Phenol, 2-nitro-5-(trifluoromethyl)- |
EINECS | 200-528-9 |
CAS No. | 402-17-5 | Density | 1.555 g/cm3 |
PSA | 66.05000 | LogP | 2.84240 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H4F3NO3 | Boiling Point | 239.355 °C at 760 mmHg |
Molecular Weight | 207.109 | Flash Point | 98.559 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Nitro-5-(trifluoromethyl)phenol;3-Hydroxy-4-nitrobenzotrifluoride;α,α,α-Trifluoro-6-nitro-m-cresol; |
Article Data | 19 |
The Phenol, 2-nitro-5-(trifluoromethyl)-, with the CAS registry number 402-17-5, is also known as α,α,α-Trifluoro-6-nitro-m-cresol. This chemical's molecular formula is C7H4F3NO3 and molecular weight is 207.11. What's more, its systematic name is 2-Nitro-5-(trifluoromethyl)phenol.
Physical properties of Phenol, 2-nitro-5-(trifluoromethyl)- are: (1)ACD/LogP: 2.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 110; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 903; (8)ACD/KOC (pH 7.4): 36; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 66.05 Å2; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 39.66 cm3; (15)Molar Volume: 133.215 cm3; (16)Polarizability: 15.722×10-24 cm3; (17)Surface Tension: 39.98 dyne/cm; (18)Density: 1.555 g/cm3; (19)Flash Point: 98.559 °C; (20)Enthalpy of Vaporization: 49.555 kJ/mol; (21)Boiling Point: 239.355 °C at 760 mmHg; (22)Vapour Pressure: 0.026 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=N(=O)c1ccc(cc1O)C(F)(F)F
(2)InChI: InChI=1/C7H4F3NO3/c8-7(9,10)4-1-2-5(11(13)14)6(12)3-4/h1-3,12H
(3)InChIKey: FVKYLHATVWKUMW-UHFFFAOYSA-N