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

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

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

Product Name

2-(1,1,2,2-TETRAFLUOROETHOXY)NITROBENZENE

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

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