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Benzene,2-nitro-1-phenoxy-4-(trifluoromethyl)-

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Name

Benzene,2-nitro-1-phenoxy-4-(trifluoromethyl)-

EINECS N/A
CAS No. 1960-59-4 Density 1.378 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C13H8F3NO3 Boiling Point 309.8 °C at 760 mmHg
Molecular Weight 283.207 Flash Point 141.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1960-59-4 (2-nitro-1-phenoxy-4-(trifluoromethyl)benzene) Hazard Symbols N/A
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;

Article Data 4

Benzene,2-nitro-1-phenoxy-4-(trifluoromethyl)- Specification

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 %.

The Benzene, 2-nitro-1-phenoxy-4-(trifluoromethyl)- can be obtained by Phenol; sodium salt and 1-Chloro-2-nitro-4-trifluoromethyl-benzene.

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

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