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Name |
Dimethyl 3-nitrophthalate |
EINECS | N/A |
CAS No. | 13365-26-9 | Density | 1.35 g/cm3 |
PSA | 98.42000 | LogP | 1.69120 |
Solubility | Insoluble in water | Melting Point |
68-69 °C |
Formula | C10H9NO6 | Boiling Point | 314.6 °C at 760 mmHg |
Molecular Weight | 239.185 | Flash Point | 134.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 22-24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1,2-Benzenedicarboxylicacid, 3-nitro-, dimethyl ester (9CI);Phthalic acid, 3-nitro-, dimethyl ester (8CI);Methyl 2-(methoxycarbonyl)-3-nitrobenzoate;NSC68806;3-Nitrophthalic acid dimethyl ester;Dimethyl 3-nitrobenzene-1,2-dicarboxylate; |
Article Data | 30 |
The 1,2-Benzenedicarboxylicacid, 3-nitro-, 1,2-dimethyl ester with CAS registry number of 13365-26-9 is also known as Dimethyl 3-nitrophthalate. The IUPAC name is Dimethyl 3-nitrobenzene-1,2-dicarboxylate. It belongs to product categories of Aromatic Esters. In addition, the formula is C10H9NO6 and the molecular weight is 239.18. What's more, this chemical should be sealed in cool and dry place away from oxidants. During using it, do not breathe dust and avoid contact with skin or eyes.
Physical properties about 1,2-Benzenedicarboxylicacid, 3-nitro-, 1,2-dimethyl ester are: (1)ACD/LogP: 0.99; (2)#H bond acceptors: 7; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 98.42Å2; (5)Index of Refraction: 1.549; (6)Molar Refractivity: 56.34 cm3; (7)Molar Volume: 177 cm3; (8)Polarizability: 22.33×10-24cm3; (9)Surface Tension: 50.6 dyne/cm; (10)Density: 1.35 g/cm3; (11)Flash Point: 134.3 °C; (12)Enthalpy of Vaporization: 55.57 kJ/mol; (13)Boiling Point: 314.6 °C at 760 mmHg; (14)Vapour Pressure: 0.000462 mmHg at 25 °C.
Preparation of 1,2-Benzenedicarboxylicacid, 3-nitro-, 1,2-dimethyl ester: it is prepared by reaction of butynedioic acid dimethyl ester with 1-(N,N-dimethylamino)-4-nitro-1,3-butadiene. The reaction needs solvent xylene with other conditon of heating for 2 hours. The yield is about 61.9%.
Uses of 1,2-Benzenedicarboxylicacid, 3-nitro-, 1,2-dimethyl ester: it is used to produce 3-amino-phthalic acid dimethyl ester. The reaction occurs with reagent cyclohexene, solvent ethanol and catalyst Pd/C with other condition of heating for 3 hours. The yield is about 100%.
You can still convert the following datas into molecular structure:
1. SMILES: O=[N+]([O-])c1cccc(c1C(=O)OC)C(=O)OC
2. InChI: InChI=1/C10H9NO6/c1-16-9(12)6-4-3-5-7(11(14)15)8(6)10(13)17-2/h3-5H,1-2H3
3. InChIKey: MLQMIKSBTAZNBK-UHFFFAOYAJ
4. Std. InChI: InChI=1S/C10H9NO6/c1-16-9(12)6-4-3-5-7(11(14)15)8(6)10(13)17-2/h3-5H,1-2H3
5. Std. InChIKey: MLQMIKSBTAZNBK-UHFFFAOYSA-N