1,2,3-TRIMETHOXY-5-NITROBENZENE

The CAS register number of Benzene,1,2,3-trimethoxy-5-nitro- is 6307-90-0. It also can be called as 3,4,5-Trimethoxynitrobenzene and the systematic name about this chemical is 1,2,3-trimethoxy-5-nitrobenzene. The molecular formula about this chemical is C₉H₁₁NO₅ and the molecular weight is 213.19.

Physical properties about Benzene,1,2,3-trimethoxy-5-nitro- are: (1)ACD/LogP: 2.16; (2)#H bond acceptors: 6; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 73.51 Å²; (5)Index of Refraction: 1.521; (6)Molar Refractivity: 52.83 cm³; (7)Molar Volume: 173.2 cm³; (8)Polarizability: 20.94x10^-24cm³; (9)Surface Tension: 38.9 dyne/cm; (10)Density: 1.23 g/cm³; (11)Flash Point: 159.2 °C; (12)Enthalpy of Vaporization: 56.15 kJ/mol; (13)Boiling Point: 341.1 °C at 760 mmHg; (14)Vapour Pressure: 0.000163 mmHg at 25 °C.

Preparation: this chemical can be prepared by 1,2,3-trimethoxy-benzene. This reaction will need reagent of NO²⁺BF^4- and solvent of 1,2-dimethoxy-ethane. The reaction temperature is -50 °C. The yield is about 46%.

Uses of Benzene,1,2,3-trimethoxy-5-nitro-: it can be used to produce 2,6-Dimethoxy-4-nitro-phenol. This reaction will need reagent of BCl₃ and solvent of CH₂Cl₂. The reaction time is 22 hours with ambient temperature. The yield is about 72%.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc(OC)c(OC)c(OC)c1
(2)InChI: InChI=1/C9H11NO5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3
(3)InChIKey: HZXMMBPRQGKMSW-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C9H11NO5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3
(5)Std. InChIKey: HZXMMBPRQGKMSW-UHFFFAOYSA-N