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Name |
Benzoic acid,3,4,5-trimethoxy-2-nitro- |
EINECS | 266-518-6 |
CAS No. | 66907-52-6 | Density | 1.384 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
166 °C |
Formula | C10H11NO7 | Boiling Point | 440 °C at 760 mmHg |
Molecular Weight | 257.2 | Flash Point | 219.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Nitro-3,4,5-trimethoxybenzoicacid;3,4,5-Trimethoxy-2-nitrobenzoic acid;NSC 100936; |
Article Data | 16 |
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