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Benzene,1-nitro-2-(1,1,2,2-tetrafluoroethoxy)-

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Name

Benzene,1-nitro-2-(1,1,2,2-tetrafluoroethoxy)-

EINECS 248-898-5
CAS No. 28202-31-5 Density 1.458 g/cm3
PSA 55.05000 LogP 3.35470
Solubility N/A Melting Point N/A
Formula C8H5F4NO3 Boiling Point 273.1 °C at 760 mmHg
Molecular Weight 239.126 Flash Point 107.8 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 28202-31-5 (2-(1,1,2,2-TETRAFLUOROETHOXY)NITROBENZENE) Hazard Symbols ToxicT
Synonyms

Phenetole, a,a,b,b-tetrafluoro-o-nitro- (8CI);1-nitro-2-(1,1,2,2-tetrafluoroethoxy)benzene;2-Nitrophenyl 1,1,2,2-tetrafluoroethyl ether;2-Tetrafluoroethoxynitrobenzene;benzene, 1-nitro-2-(1,1,2,2-tetrafluoroethoxy)-;

 

Benzene,1-nitro-2-(1,1,2,2-tetrafluoroethoxy)- Specification

The Benzene,1-nitro-2-(1,1,2,2-tetrafluoroethoxy)-, with the CAS registry number 28202-31-5 and EINECS registry number 248-898-5, has the systematic name of 1-nitro-2-(1,1,2,2-tetrafluoroethoxy)benzene. And the molecular formula of the chemical is C8H5F4NO3.

The characteristics of Benzene,1-nitro-2-(1,1,2,2-tetrafluoroethoxy)- are as followings: (1)ACD/LogP: 2.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.99; (4)ACD/LogD (pH 7.4): 2.99; (5)ACD/BCF (pH 5.5): 110.75; (6)ACD/BCF (pH 7.4): 110.75; (7)ACD/KOC (pH 5.5): 1011.5; (8)ACD/KOC (pH 7.4): 1011.5; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 55.05 Å2; (13)Index of Refraction: 1.457; (14)Molar Refractivity: 44.68 cm3; (15)Molar Volume: 163.9 cm3; (16)Polarizability: 17.71×10-24cm3; (17)Surface Tension: 31.8 dyne/cm; (18)Density: 1.458 g/cm3; (19)Flash Point: 107.8 °C; (20)Enthalpy of Vaporization: 49.08 kJ/mol; (21)Boiling Point: 273.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00979 mmHg at 25°C. 

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(Oc1ccccc1[N+]([O-])=O)C(F)F
(2)InChI: InChI=1/C8H5F4NO3/c9-7(10)8(11,12)16-6-4-2-1-3-5(6)13(14)15/h1-4,7H
(3)InChIKey: NZPNQVWBJNSDMV-UHFFFAOYAX

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