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CAS No.: | 1960-59-4 |
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Name: | 2-nitro-1-phenoxy-4-(trifluoromethyl)benzene |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C13H8F3NO3 |
Molecular Weight: | 283.207 |
Synonyms: | Ether,phenyl a,a,a-trifluoro-2-nitro-p-tolyl(7CI,8CI);2-Nitro-a,a,a-trifluoro-p-tolylphenyl ether;2-Phenoxy-5-(trifluoromethyl)nitrobenzene;NSC 58416; |
Density: | 1.378 g/cm3 |
Boiling Point: | 309.8 °C at 760 mmHg |
Flash Point: | 141.2 °C |
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The Benzene, 2-nitro-1-phenoxy-4-(trifluoromethyl)-, with the CAS registry number 1960-59-4, is also known as 2-Nitro-a, a, a-trifluoro-p-tolylphenyl ether. This chemical's molecular formula is C13H8F3NO3 and molecular weight is 283.2027. What's more, its IUPAC name is 2-Nitro-1-phenoxy-4-(trifluoromethyl)benzene.
Physical properties about Benzene, 2-nitro-1-phenoxy-4-(trifluoromethyl)- are: (1)ACD/LogP: 3.93; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 55.05 Å2; (7)Index of Refraction: 1.537; (8)Molar Refractivity: 64.22 cm3; (9)Molar Volume: 205.3 cm3; (10)Polarizability: 25.45×10-24 cm3; (11)Surface Tension: 38.3 dyne/cm; (12)Density: 1.378 g/cm3; (13)Flash Point: 141.2 °C; (14)Enthalpy of Vaporization: 52.86 kJ/mol; (15)Boiling Point: 309.8 °C at 760 mmHg; (16)Vapour Pressure: 0.00114 mmHg at 25 °C.
Preparation of Benzene, 2-nitro-1-phenoxy-4-(trifluoromethyl)-: this chemical is prepared by reaction of Phenol; sodium salt with 1-Chloro-2-nitro-4-trifluoromethyl-benzene. The reaction needs reagent Tris(3, 6-dioxaheptyl)amine and solvent Chlorobenzene. The reaction time is 4 hours. The yield is about 92 %.
You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c2ccc(Oc1ccccc1)c(c2)[N+]([O-])=O
(2) InChI: InChI=1/C13H8F3NO3/c14-13(15,16)9-6-7-12(11(8-9)17(18)19)20-10-4-2-1-3-5-10/h1-8H
(3) InChIKey: FMPQPRZPVWQOMC-UHFFFAOYAK