3,4,5-TRIMETHOXY-2-NITROBENZOIC ACID

The CAS register number of Benzoic acid,3,4,5-trimethoxy-2-nitro- is 66907-52-6. It also can be called as 2-Nitro-3,4,5-trimethoxybenzoicacid and the systematic name about this chemical is 3,4,5-trimethoxy-2-nitrobenzoic acid. The molecular formula about this chemical is C₁₀H₁₁NO₇ and the molecular weight is 257.2. It belongs to the following product categories which include Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts and so on.

Physical properties about Benzoic acid,3,4,5-trimethoxy-2-nitro- are: (1)ACD/LogP: 1.90; (2)ACD/LogD (pH 5.5): -1.01; (3)ACD/LogD (pH 7.4): -1.24; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 8; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 99.81 Å²; (12)Index of Refraction: 1.556; (13)Molar Refractivity: 59.76 cm³; (14)Molar Volume: 185.8 cm³; (15)Polarizability: 23.69x10^-24cm³; (16)Surface Tension: 50.3 dyne/cm; (17)Density: 1.384 g/cm³; (18)Flash Point: 219.9 °C; (19)Enthalpy of Vaporization: 73.46 kJ/mol; (20)Boiling Point: 440 °C at 760 mmHg; (21)Vapour Pressure: 1.62E-08 mmHg at 25 °C.

Uses of Benzoic acid,3,4,5-trimethoxy-2-nitro-: it can be used to produce N-(6-amino-2,4-dioxo-1,3-dipropyl-1,2,3,4-tetrahydro-pyrimidin-5-yl)-3,4,5-trimethoxy-2-nitro-benzamide with 5,6-diamino-1,3-dipropyl-1H-pyrimidine-2,4-dione. This reaction will need reagent of diisopropyl carbodiimide and solvent of methanol. The reaction time is 6 hours with ambient temperature. The yield is about 35%.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1c(cc(OC)c(OC)c1OC)C(=O)O
(2)InChI: InChI=1/C10H11NO7/c1-16-6-4-5(10(12)13)7(11(14)15)9(18-3)8(6)17-2/h4H,1-3H3,(H,12,13)
(3)InChIKey: VPVAFLFJAAPHKI-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C10H11NO7/c1-16-6-4-5(10(12)13)7(11(14)15)9(18-3)8(6)17-2/h4H,1-3H3,(H,12,13)
(5)Std. InChIKey: VPVAFLFJAAPHKI-UHFFFAOYSA-N