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CAS No.: | 75233-61-3 |
---|---|
Name: | 2-(2-NITROETHOXY)TETRAHYDROPYRAN |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C7H13NO4 |
Molecular Weight: | 175.185 |
Synonyms: | 1-Nitro-2-[(tetrahydro-2H-pyran-2-yl)oxy]ethane;2-(2-Nitroethoxy)tetrahydropyran;2-Nitroethyl tetrahydropyranyl ether; |
EINECS: | 145-632-9 |
Density: | 1.15 g/cm3 |
Boiling Point: | 285.2 °C at 760 mmHg |
Flash Point: | 135 °C |
Appearance: | UN 1993 3/PG 3 |
Hazard Symbols: | Xi |
Risk Codes: | 10-36/37/38 |
Safety: | 16-26-36/37/39 |
PSA: | 64.28000 |
LogP: | 1.32950 |
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The CAS register number of 2H-Pyran,tetrahydro-2-(2-nitroethoxy)- is 75233-61-3. It also can be called as 2-Nitroethyl tetrahydropyranyl ether and the systematic name about this chemical is 2-(2-nitroethoxy)tetrahydro-2H-pyran. The molecular formula about this chemical is C7H13NO4 and the molecular weight is 175.18.
Physical properties about 2H-Pyran,tetrahydro-2-(2-nitroethoxy)- are: (1)ACD/LogP: 0.60; (2)#H bond acceptors: 5; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 64.28 Å2; (5)Index of Refraction: 1.465; (6)Molar Refractivity: 41.91 cm3; (7)Molar Volume: 151.5 cm3; (8)Polarizability: 16.61x10-24cm3; (9)Surface Tension: 38.8 dyne/cm; (10)Density: 1.15 g/cm3; (11)Flash Point: 135 °C; (12)Enthalpy of Vaporization: 52.43 kJ/mol; (13)Boiling Point: 285.2 °C at 760 mmHg; (14)Vapour Pressure: 0.00284 mmHg at 25 °C.
Preparation: this chemical can be prepared by 3,4-dihydro-2H-pyran and 2-nitro-ethanol. This reaction will need reagent of PTSA and solvent of CH2Cl2. The reaction temperature is 0 - 20 °C. The yield is about 63%.
Uses of 2H-Pyran,tetrahydro-2-(2-nitroethoxy)-: it can be used to produce 5-phenyl-3-(tetrahydro-pyran-2-yloxymethyl)-4,5-dihydro-isoxazole with vinylbenzene. This reaction will need reagents of phenylisocyanate, NEt3 and water. The yield is about 95%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin and flammable. It may cause inflammation to the skin or other mucous membranes. If you want to use this chemical, wear suitable protective clothing, gloves and eye/face protection and keep away from sources of ignition. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Usually it is not harmful to water, if no official permission, do not put materials into the permission surroundings. If you want to store it, you should keep the container tightly sealed in dry, cool places and avoid contact with oxide, source of ignition.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)CCOC1OCCCC1
(2)InChI: InChI=1/C7H13NO4/c9-8(10)4-6-12-7-3-1-2-5-11-7/h7H,1-6H2
(3)InChIKey: KQDXRRAVDLIMGM-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C7H13NO4/c9-8(10)4-6-12-7-3-1-2-5-11-7/h7H,1-6H2
(5)Std. InChIKey: KQDXRRAVDLIMGM-UHFFFAOYSA-N