| Identification | |
| Name: | 1,3-Benzenedicarboxylicacid, 5-nitro-, 1,3-diethyl ester |
| Synonyms: | 1,3-Benzenedicarboxylicacid, 5-nitro-, diethyl ester (9CI);Isophthalic acid, 5-nitro-, diethyl ester(6CI,7CI,8CI); |
| CAS: | 10560-13-1 |
| EINECS: | 234-144-2 |
| Molecular Formula: | C12H13NO6 |
| Molecular Weight: | 267.24 |
| InChI: | InChI=1/C12H13NO6/c1-3-18-11(14)8-5-9(12(15)19-4-2)7-10(6-8)13(16)17/h5-7H,3-4H2,1-2H3 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.272 g/cm3 |
| Refractive index: | 1.537 |
| Appearance: | White or pale yellow powder |
| Specification: |
The CAS register number of Diethyl 5-nitroisophthalate is 10560-13-1. It also can be called as 1,3-Benzenedicarboxylicacid, 5-nitro-, 1,3-diethyl ester and the IUPAC name about this chemical is diethyl 5-nitrobenzene-1,3-dicarboxylate. The molecular formula about this chemical is C12H13NO6 and the molecular weight is 267.24. Physical properties about Diethyl 5-nitroisophthalate are: (1)ACD/LogP: 3.03; (2)ACD/LogD (pH 5.5): 3.03; (3)ACD/LogD (pH 7.4): 3.03; (4)ACD/BCF (pH 5.5): 117.57; (5)ACD/BCF (pH 7.4): 117.57; (6)ACD/KOC (pH 5.5): 1055.64; (7)ACD/KOC (pH 7.4): 1055.64; (8)#H bond acceptors: 7; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 98.42Å2; (11)Index of Refraction: 1.537; (12)Molar Refractivity: 65.61 cm3; (13)Molar Volume: 210 cm3; (14)Polarizability: 26.01x10-24cm3; (15)Surface Tension: 47.6 dyne/cm; (16)Enthalpy of Vaporization: 63.31 kJ/mol; (17)Boiling Point: 384.4 °C at 760 mmHg; (18)Vapour Pressure: 4.1E-06 mmHg at 25°C. Preparation: this chemical can be prepared by ethanol and 5-nitro-isophthalic acid. This reaction will need reagent HCl. You can still convert the following datas into molecular structure: |
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