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2831-60-9

Basic Information
CAS No.: 2831-60-9
Name: Ethanol,2-(2,4-dinitrophenoxy)-
Molecular Structure:
Molecular Structure of 2831-60-9 (Ethanol,2-(2,4-dinitrophenoxy)-)
Formula: C8H8N2O6
Molecular Weight: 228.16
Synonyms: 1-(2-Hydroxyethoxy)-2,4-dinitrobenzene;1-(b-Hydroxyethoxy)-2,4-dinitrobenzene;2-(2,4-Dinitrophenoxy)ethanol;NSC 28669;β-Hydroxyethyl 2,4-dinitrophenyl ether;2-(2,4-dinitrophenoxy)ethanol;1-(2-Hydroxyethoxy)-2,4-dinitrobenzene;2-(2,4-dinitrophenoxy)ethan-1-ol;2-(2,4-Dinitrophenoxy)ethanol;2-(2,4-Dinitro-phenoxy)-ethanol;ethanol, 2-(2,4-dinitrophenoxy)-;β-Hydroxyethyl 2,4-dinitrophenyl ether;
EINECS: 220-597-3
Density: 1.509 g/cm3
Melting Point:
Boiling Point: 439.7 °C at 760 mmHg
Flash Point: 219.7 °C
Solubility:
Appearance:
Hazard Symbols: IrritantXi
Risk Codes:
Safety:
Transport Information: UN 1325
PSA: 121.10000
LogP: 1.92050
Synthetic route
107-21-1

ethylene glycol

97-00-7

1-chloro-2,4-dinitro-benzene

2831-60-9

2-(2,4-dinitrophenoxy)ethanol

Conditions
ConditionsYield
Stage #1: ethylene glycol; 1-chloro-2,4-dinitro-benzene at 78℃; for 0.5h;
Stage #2: With sodium hydroxide at 85 - 95℃; for 2.66667h;
Stage #3: In water at 90℃; for 1.66667h; Concentration;
97%
With sodium hydroxide at 100℃;
With sodium carbonate at 115℃;
With sodium carbonate at 100℃;
75-21-8

oxirane

97-00-7

1-chloro-2,4-dinitro-benzene

2831-60-9

2-(2,4-dinitrophenoxy)ethanol

Conditions
ConditionsYield
Stage #1: 1-chloro-2,4-dinitro-benzene With water; potassium hydroxide at 90℃; for 1h;
Stage #2: oxirane for 5h; Reagent/catalyst;
95.6%
119-27-7

2,4-dinitroanisole

107-21-1

ethylene glycol

2831-60-9

2-(2,4-dinitrophenoxy)ethanol

Conditions
ConditionsYield
With potassium hydroxide
2486-07-9

2,4-dinitrophenyl phenyl ether

107-21-1

ethylene glycol

2831-60-9

2-(2,4-dinitrophenoxy)ethanol

Conditions
ConditionsYield
With potassium hydroxide; benzene
96-49-1

[1,3]-dioxolan-2-one

51-28-5

2,4-Dinitrophenol

2831-60-9

2-(2,4-dinitrophenoxy)ethanol

Conditions
ConditionsYield
With tetraethylammonium iodide
2363-36-2

(2,4-dinitro-phenyl)-(4-nitro-phenyl)-ether

107-21-1

ethylene glycol

KOH

KOH

A

100-02-7

4-nitro-phenol

B

2831-60-9

2-(2,4-dinitrophenoxy)ethanol

Conditions
ConditionsYield
Kinetics;
2548-96-1

1-(4-chlorophenoxy)-2,4-dinitrobenzene

107-21-1

ethylene glycol

KOH

KOH

A

2831-60-9

2-(2,4-dinitrophenoxy)ethanol

B

106-48-9

4-chloro-phenol

Conditions
ConditionsYield

mono-sodium ethylene glycolate

97-00-7

1-chloro-2,4-dinitro-benzene

2831-60-9

2-(2,4-dinitrophenoxy)ethanol

Conditions
ConditionsYield
In water; ethylene glycol

mono-potassium ethylene glycolate

97-00-7

1-chloro-2,4-dinitro-benzene

2831-60-9

2-(2,4-dinitrophenoxy)ethanol

Conditions
ConditionsYield
In water; ethylene glycol
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Specification

The Ethanol,2-(2,4-dinitrophenoxy)-, with the CAS registry number 2831-60-9 and EINECS registry number 220-597-3, has the sydtematic name of 2-(2,4-dinitrophenoxy)ethanol. It belongs to the product categories of Aromatic alcohols and diols. And the molecular formula of the chemical is C8H8N2O6.

The characteristics of Ethanol,2-(2,4-dinitrophenoxy)- are as followings: (1)ACD/LogP: 0.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.59; (4)ACD/LogD (pH 7.4): 0.59; (5)ACD/BCF (pH 5.5): 1.65; (6)ACD/BCF (pH 7.4): 1.65; (7)ACD/KOC (pH 5.5): 49.86; (8)ACD/KOC (pH 7.4): 49.86; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 110.1 Å2; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 52.19 cm3; (15)Molar Volume: 151.1 cm3; (16)Polarizability: 20.68×10-24cm3; (17)Surface Tension: 66.4 dyne/cm; (18)Density: 1.509 g/cm3; (19)Flash Point: 219.7 °C; (20)Enthalpy of Vaporization: 73.44 kJ/mol; (21)Boiling Point: 439.7 °C at 760 mmHg; (22)Vapour Pressure: 1.65E-08 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(OCCO)c(c1)[N+]([O-])=O
(2)InChI: InChI=1/C8H8N2O6/c11-3-4-16-8-2-1-6(9(12)13)5-7(8)10(14)15/h1-2,5,11H,3-4H2
(3)InChIKey: YYTMNJWMYPSLOD-UHFFFAOYAB