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1,2-Bis(2-Nitrophenoxy)ethane

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Name

1,2-Bis(2-Nitrophenoxy)ethane

EINECS N/A
CAS No. 51661-19-9 Density 1.37 g/cm3
PSA 110.10000 LogP 4.00720
Solubility N/A Melting Point 167-170 °C
Formula C14H12N2O6 Boiling Point 501.7 °C at 760 mmHg
Molecular Weight 304.259 Flash Point 226.1 °C
Transport Information N/A Appearance Yellow Crystalline Solid
Safety 26-36/37/39 Risk Codes 23/24/25-36/37/38
Molecular Structure Molecular Structure of 51661-19-9 (1,2-Bis(2-Nitrophenoxy)ethane) Hazard Symbols N/A
Synonyms

Ethane,1,2-bis(o-nitrophenoxy)- (6CI);1,2-Bis(2-nitrophenoxy)ethane;1,2-Bis(o-nitrophenoxy)ethane;Ethylene glycol bis(2-nitrophenyl) ether;

Article Data 26

1,2-Bis(2-Nitrophenoxy)ethane Specification

The 1,2-Bis(2-Nitrophenoxy)ethane is an organic compound with the formula C14H12N2O6. The systematic name of this chemical is 1,1'-[ethane-1,2-diylbis(oxy)]bis(2-nitrobenzene). With the CAS registry number 51661-19-9, it is also named as benzene, 1,1'-[1,2-ethanediylbis(oxy)]bis[2-nitro-. The product's categories are Aromatics; Chelating Agents & Ligands; Fluorescent Labels & Indicators. Besides, it is a yellow crystalline solid, which should be stored in a closed cool and dry place.

Physical properties about 1,2-Bis(2-Nitrophenoxy)ethane are: (1)ACD/LogP: 3.00; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 112.7; (5)ACD/BCF (pH 7.4): 112.7; (6)ACD/KOC (pH 5.5): 1024.17; (7)ACD/KOC (pH 7.4): 1024.17; (8)#H bond acceptors: 8; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 110.1 Å2; (11)Index of Refraction: 1.609; (12)Molar Refractivity: 76.9 cm3; (13)Molar Volume: 222 cm3; (14)Polarizability: 30.48×10-24cm3; (15)Surface Tension: 55.7 dyne/cm; (16)Density: 1.37 g/cm3; (17)Flash Point: 226.1 °C; (18)Enthalpy of Vaporization: 74.13 kJ/mol; (19)Boiling Point: 501.7 °C at 760 mmHg; (20)Vapour Pressure: 1.06E-09 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,2-dichloro-ethane and 2-nitro-phenol. This reaction will need reagent 15-crown-5 ether, Na2CO3 and solvent dimethylformamide. The reaction time is 5 hours with reaction temperature of 140 °C. The yield is about 73%.

Uses of 1,2-Bis(2-Nitrophenoxy)ethane: it can be used to produce 21,2-bis-(2-amino-phenoxy)-ethane. It will need reagent SnCl2*2H2O, aq. HCl.

When you are using this chemical, please be cautious about it as the following:
It is toxic by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2ccccc2OCCOc1ccccc1[N+]([O-])=O
(2)InChI: InChI=1/C14H12N2O6/c17-15(18)11-5-1-3-7-13(11)21-9-10-22-14-8-4-2-6-12(14)16(19)20/h1-8H,9-10H2
(3)InChIKey: DEHTVRKGDUCXRF-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C14H12N2O6/c17-15(18)11-5-1-3-7-13(11)21-9-10-22-14-8-4-2-6-12(14)16(19)20/h1-8H,9-10H2
(5)Std. InChIKey: DEHTVRKGDUCXRF-UHFFFAOYSA-N

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