CAS No.179688-26-7,Ethyl 4,5-bis(2-methoxyethoxy)-2-nitrobenzoate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	179688-26-7
Name:	Ethyl 4,5-bis(2-methoxyethoxy)-2-nitrobenzoate
Article Data:	23

Formula:	C₁₅H₂₁NO₈
Molecular Weight:	343.334
Synonyms:	4,5-Bis(2-methoxyethoxy)-2-nitrobenzoic acid ethyl ester;
EINECS:	605-866-9
Density:	1.215 g/cm³
Boiling Point:	467.8 °C at 760 mmHg
Flash Point:	185.6 °C
PSA:	109.04000
LogP:	2.34510

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Specification

The Ethyl 4,5-bis(2-methoxyethoxy)-2-nitrobenzoate, with CAS registry number 179688-26-7, has the systematic name of ethyl 4,5-bis(2-methoxyethoxy)-2-nitrobenzoate. Besides this, it is also called 4,5-Bis(2-methoxyethoxy)-2-nitrobenzoic acid ethyl ester. And the chemical formula of this chemical is C₁₅H₂₁NO_8.

Physical properties of Ethyl 4,5-bis(2-methoxyethoxy)-2-nitrobenzoate: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.86; (4)ACD/LogD (pH 7.4): 1.86; (5)ACD/BCF (pH 5.5): 15.16; (6)ACD/BCF (pH 7.4): 15.16; (7)ACD/KOC (pH 5.5): 243.64; (8)ACD/KOC (pH 7.4): 243.64; (9)#H bond acceptors: 9; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 109.04 Å²; (13)Index of Refraction: 1.51; (14)Molar Refractivity: 84.58 cm³; (15)Molar Volume: 282.4 cm³; (16)Polarizability: 33.53×10^-24cm³; (17)Surface Tension: 42 dyne/cm; (18)Density: 1.215 g/cm³; (19)Flash Point: 185.6 °C; (20)Enthalpy of Vaporization: 72.99 kJ/mol; (21)Boiling Point: 467.8 °C at 760 mmHg; (22)Vapour Pressure: 6.29E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc(OCCOC)c(OCCOC)cc1C(=O)OCC
(2)InChI: InChI=1/C15H21NO8/c1-4-22-15(17)11-9-13(23-7-5-20-2)14(24-8-6-21-3)10-12(11)16(18)19/h9-10H,4-8H2,1-3H3
(3)InChIKey: VOHOFZNVWZWVMA-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C15H21NO8/c1-4-22-15(17)11-9-13(23-7-5-20-2)14(24-8-6-21-3)10-12(11)16(18)19/h9-10H,4-8H2,1-3H3
(5)Std. InChIKey: VOHOFZNVWZWVMA-UHFFFAOYSA-N