Diethyl 5-nitroisophthalate supplier

Name
Diethyl 5-nitroisophthalate
EINECS 234-144-2
CAS No. 10560-13-1
Article Data5
CAS DataBase
Density 1.272 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₃NO₆
Boiling Point 384.405 °C at 760 mmHg
Molecular Weight 267.238
Flash Point 164.049 °C
Transport Information
Appearance White or pale yellow powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,3-Benzenedicarboxylicacid, 5-nitro-, diethyl ester (9CI);Isophthalic acid, 5-nitro-, diethyl ester(6CI,7CI,8CI);
PSA 98.42000
LogP 2.47140

Diethyl 5-nitroisophthalate 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

Product Name

Diethyl 5-nitroisophthalate

Diethyl 5-nitroisophthalate Specification

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