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3,4-Ethylenedioxypyrrole

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Name

3,4-Ethylenedioxypyrrole

EINECS N/A
CAS No. 169616-17-5 Density 1.294 g/cm3
PSA 34.25000 LogP 0.78590
Solubility N/A Melting Point -108 °C

Formula C6H7NO2 Boiling Point 65-67 °C
Molecular Weight 125.127 Flash Point -18 °C
Transport Information UN 2056 Appearance N/A
Safety 16-26-29-33-36 Risk Codes 11-19-36/37
Molecular Structure Molecular Structure of 169616-17-5 (3 4-ETHYLENEDIOXYPYRROLE  2% (W/V) SOLU&) Hazard Symbols FlammableFIrritantXi
Synonyms

3,4-Ethylenedioxypyrrole;

 

3,4-Ethylenedioxypyrrole Specification

The 3,4-Ethylenedioxypyrrole with the cas registry number of 169616-17-5 belongs to the product categories of pyrrole. This chemical's molecular formula is C6H7NO2 and formula weight is 125.12528. It is also known as 6H-1,4-Dioxino[2,3-c]pyrrole, 2,3-dihydro-. What's more, its systematic name is called 2,3-Dihydro-6H-[1,4]dioxino[2,3-c]pyrrole.

Physical properties about this chemical are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 7; (4)ACD/KOC (pH 7.4): 38; (5)#H bond acceptors: 3; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 34.25 Å2; (9)Index of Refraction: 1.564; (10)Molar Refractivity: 31.459 cm3; (11)Molar Volume: 96.672 cm3; (12)Surface Tension: 54.183 dyne/cm; (13)Density: 1.294 g/cm3; (14)Flash Point: 94.009 °C; (15)Melting Point -108 °C; (16)Enthalpy of Vaporization: 47.443 kJ/mol; (17)Boiling Point: 256.864 °C at 760 mmHg; (18)Vapour Pressure: 0.024 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may catch fire in contact with air, it only need brief contact with an ignition source. At same time, it has a very low flash point or evolve highly flammable gases in contact with water. Thirdly, this chemical may cause inflammation to the skin or other mucous membranes and irritates to eyes and respiratory system. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact this chemical, you should take precautionary measures against static discharges and wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ncc2OCCOc12;
(2)InChI: InChI=1/C6H7NO2/c1-2-9-6-4-7-3-5(6)8-1/h3-4,7H,1-2H2;
(3)InChIKey: IJAMAMPVPZBIQX-UHFFFAOYAQ;
(4)Std. InChI: InChI=1S/C6H7NO2/c1-2-9-6-4-7-3-5(6)8-1/h3-4,7H,1-2H2; (5)Std. InChIKey: IJAMAMPVPZBIQX-UHFFFAOYSA-N.

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