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CAS No.: | 25889-36-5 |
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Name: | 3-NITRO-4-(TRIFLUOROMETHYL)PHENOL |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C7H4F3NO3 |
Molecular Weight: | 207.11 |
Synonyms: | p-Cresol,a,a,a-trifluoro-3-nitro-(8CI);3-Nitro-4-(trifluoromethyl)phenol; |
Density: | 1.554 g/cm3 |
Melting Point: | 103 °C |
Boiling Point: | 286.2 °C at 760 mmHg |
Flash Point: | 126.9 °C |
Hazard Symbols: | Xi |
PSA: | 66.05000 |
LogP: | 2.84240 |
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The Phenol,3-nitro-4-(trifluoromethyl)-, with the CAS registry number 25889-36-5, is also known as 4-(Trifluoromethyl)-3-Nitrophenol. It belongs to the product category of Aromatic Halides (substituted). This chemical's molecular formula is C7H4F3NO3 and molecular weight is 207.11. What's more, its IUPAC name is 3-Nitro-4-(trifluoromethyl)phenol.
Physical properties about Phenol,3-nitro-4-(trifluoromethyl) are: (1)ACD/LogP: 3.33; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.31; (4)ACD/LogD (pH 7.4): 2.66; (5)ACD/BCF (pH 5.5): 190.55; (6)ACD/BCF (pH 7.4): 42.4; (7)ACD/KOC (pH 5.5): 1472.29; (8)ACD/KOC (pH 7.4): 327.61; (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: 39.65 cm3; (15)Molar Volume: 133.2 cm3; (16)Polarizability: 15.72×10-24cm3; (17)Surface Tension: 39.9 dyne/cm; (18) Density: 1.554 g/cm3; (19)Flash Point: 126.9 °C; (20)Enthalpy of Vaporization: 54.64 kJ/mol; (21)Boiling Point: 286.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00155 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1cc(O)ccc1C(F)(F)F
(2) InChI: InChI=1/C7H4F3NO3/c8-7(9,10)5-2-1-4(12)3-6(5)11(13)14/h1-3,12H
(3) InChIKey: NIIKTULPELJXBP-UHFFFAOYAC