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21407-49-8

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Basic Information
CAS No.: 21407-49-8
Name: 2-[(2-nitrophenoxy)methyl]oxirane
Article Data: 15
Molecular Structure:
Molecular Structure of 21407-49-8 (2-[(2-nitrophenoxy)methyl]oxirane)
Formula: C9H9NO4
Molecular Weight: 195.175
Synonyms: (2-Nitrophenoxymethyl)oxirane;1,2-Epoxy-3-(2-nitrophenoxy)propane;Oxirane,[(2-nitrophenoxy)methyl]- (9CI);Propane, 1,2-epoxy-3-(o-nitrophenoxy)-(6CI,7CI,8CI);1,2-Epoxy-3-(o-nitrophenoxy)propane;2-[(2-Nitrophenoxy)methyl]oxirane;Glycidyl 2-nitrophenyl ether;Glycidylo-nitrophenyl ether;NSC 1734;
Density: 1.34g/cm3
Boiling Point: 341.4 °C at 760 mmHg
Flash Point: 170.3 °C
PSA: 67.58000
LogP: 1.89560
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Specification

The Oxirane,2-[(2-nitrophenoxy)methyl]-, with CAS registry number 21407-49-8, has the systematic name of 2-[(2-nitrophenoxy)methyl]oxirane. Besides this, it is also called Nitrophenyl glycidyl ether. And the chemical formula of this chemical is C9H9NO4.

Physical properties of Oxirane,2-[(2-nitrophenoxy)methyl]-: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 67.58 Å2; (7)Index of Refraction: 1.578; (8)Molar Refractivity: 48.31 cm3; (9)Molar Volume: 145.5 cm3; (10)Polarizability: 19.15×10-24cm3; (11)Surface Tension: 55 dyne/cm; (12)Density: 1.34 g/cm3; (13)Flash Point: 170.3 °C; (14)Enthalpy of Vaporization: 56.19 kJ/mol; (15)Boiling Point: 341.4 °C at 760 mmHg; (16)Vapour Pressure: 0.000159 mmHg at 25°C.

Preparation: this chemical can be prepared by chloromethyl-oxirane and 2-nitro-phenol. This reaction will need reagent aq. NaOH solution.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2ccccc2OCC1OC1
(2)InChI: InChI=1/C9H9NO4/c11-10(12)8-3-1-2-4-9(8)14-6-7-5-13-7/h1-4,7H,5-6H2
(3)InChIKey: SMKKEOQDQNCTGL-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C9H9NO4/c11-10(12)8-3-1-2-4-9(8)14-6-7-5-13-7/h1-4,7H,5-6H2
(5)Std. InChIKey: SMKKEOQDQNCTGL-UHFFFAOYSA-N