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CAS No.: | 77791-00-5 |
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Name: | TERT-BUTYL 2-NITROETHYL ETHER |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C6H13NO3 |
Molecular Weight: | 147.174 |
Synonyms: | 2-Nitroethyltert-butyl ether;tert-Butyl 2-nitroethyl ether; |
Density: | 1.002 g/cm3 |
Boiling Point: | 188.7 °C at 760 mmHg |
Flash Point: | 70.8 °C |
PSA: | 55.05000 |
LogP: | 1.60140 |
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The CAS registry number of Propane,2-methyl-2-(2-nitroethoxy)- is 77791-00-5. This chemical is also named as 2-Nitroethyltert-butyl ether. In addition, its molecular formula is C6H13NO3 and molecular weight is 147.17. Its systematic name is called tert-Butyl 2-nitroethyl ether.
Physical properties about Propane,2-methyl-2-(2-nitroethoxy)- are: (1)ACD/LogP: 1.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.35; (4)ACD/LogD (pH 7.4): 1.31; (5)ACD/BCF (pH 5.5): 6.25; (6)ACD/BCF (pH 7.4): 5.65; (7)ACD/KOC (pH 5.5): 129.24; (8)ACD/KOC (pH 7.4): 116.78; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.425; (13)Molar Refractivity: 37.57 cm3; (14)Molar Volume: 146.7 cm3; (15)Surface Tension: 30.2 dyne/cm; (16)Density: 1.002 g/cm3; (17)Flash Point: 70.8 °C; (18)Enthalpy of Vaporization: 42.49 kJ/mol; (19)Boiling Point: 188.7 °C at 760 mmHg; (20)Vapour Pressure: 0.591 mmHg at 25°C.
Uses of Propane,2-methyl-2-(2-nitroethoxy)-: it can be used to produce 3-t-butoxymethyl-5-methyl-3a,6a-dihydrofuro[2,3-d]isoxazole at temperature of 80 °C. It will need reagents diisocyanate, Et3N with reaction time of 6 days. The yield is about 68 %.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)CCOC(C)(C)C
(2)InChI: InChI=1/C6H13NO3/c1-6(2,3)10-5-4-7(8)9/h4-5H2,1-3H3
(3)InChIKey: JQXURDVBNVDPPC-UHFFFAOYAW