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| CAS No.: | 10560-13-1 |
|---|---|
| Name: | Diethyl 5-nitroisophthalate |
| Article Data: | 5 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C12H13NO6 |
| Molecular Weight: | 267.238 |
| Synonyms: | 1,3-Benzenedicarboxylicacid, 5-nitro-, diethyl ester (9CI);Isophthalic acid, 5-nitro-, diethyl ester(6CI,7CI,8CI); |
| EINECS: | 234-144-2 |
| Density: | 1.272 g/cm3 |
| Boiling Point: | 384.405 °C at 760 mmHg |
| Flash Point: | 164.049 °C |
| Appearance: | White or pale yellow powder |
| PSA: | 98.42000 |
| LogP: | 2.47140 |
- 1056016-06-81-Butanol, 2-[[9-(1-methylethyl)-6-[[3-(2-pyridinyl)phenyl]amino]-9H-purin-2-yl]amino]-, (2R)-
- 1056016-18-2(R)-C&R8
- 1056016-74-02-chloro-9-isopropyl-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-9H-purin-6-amine
- 105-60-22H-Azepin-2-one,hexahydro-
- 10560-28-8tetracyclo[4.3.0.0~2,4~.0~3,7~]non-8-ene-8,9-dicarboxylic acid
- 10561-02-13,5-Pyrazolidinedione,4-[2-(methylthio)ethyl]-1,2-diphenyl-
- 105612-50-84-Pyridinecarboxamide,2-methoxy-
- 105612-78-0Benzene,1-(1,1-dimethylethoxy)-4-(1-methylethenyl)-
- 105612-79-1Benzene,1-(1,1-dimethylethoxy)-3-ethenyl-
- 105-61-32-Butenoic acid,4-[(aminocarbonyl)amino]-4-oxo-, (2Z)-
- Total:36 Page 1 of 1 1
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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:
(1)SMILES: O=[N+]([O-])c1cc(cc(C(=O)OCC)c1)C(=O)OCC
(2)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
(3)InChIKey: PYBFOSCCWZPUSC-UHFFFAOYAC
(4)Std. InChI: InChI=1S/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
(5)Std. InChIKey: PYBFOSCCWZPUSC-UHFFFAOYSA-N