Propane,2-methyl-2-(2-nitroethoxy)- supplier

Name
TERT-BUTYL 2-NITROETHYL ETHER
EINECS
CAS No. 77791-00-5
Article Data3
CAS DataBase
Density 1.002 g/cm³
Solubility
Melting Point
Formula C₆H₁₃NO₃
Boiling Point 188.7 °C at 760 mmHg
Molecular Weight 147.174
Flash Point 70.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Nitroethyltert-butyl ether;tert-Butyl 2-nitroethyl ether;
PSA 55.05000
LogP 1.60140

Propane,2-methyl-2-(2-nitroethoxy)- Specification

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 %.

Propane,2-methyl-2-(2-nitroethoxy)- can be used to produce 3-t-butoxymethyl-5-methyl-3a,6a-dihydrofuro[2,3-d]isoxazole

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

Product Name

TERT-BUTYL 2-NITROETHYL ETHER

Propane,2-methyl-2-(2-nitroethoxy)- Specification

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