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Cas Database |
| Name |
Ethanol,2-(2,4-dinitrophenoxy)- |
EINECS | 220-597-3 |
| CAS No. | 2831-60-9 | Density | 1.509 g/cm3 |
| PSA | 121.10000 | LogP | 1.92050 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C8H8N2O6 | Boiling Point | 439.7 °C at 760 mmHg |
| Molecular Weight | 228.161 | Flash Point | 219.7 °C |
| Transport Information | UN 1325 | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| 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; |
Article Data | 15 |
Ethanol,2-(2,4-dinitrophenoxy)- Synthetic route
| Conditions | Yield |
|---|---|
| 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℃; |
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With potassium hydroxide; benzene |
| Conditions | Yield |
|---|---|
| With tetraethylammonium iodide |
- 2363-36-2
(2,4-dinitro-phenyl)-(4-nitro-phenyl)-ether
- 107-21-1
ethylene glycol
A
- 100-02-7
4-nitro-phenol
B
- 2831-60-9
2-(2,4-dinitrophenoxy)ethanol
| Conditions | Yield |
|---|---|
| Kinetics; |
- 2548-96-1
1-(4-chlorophenoxy)-2,4-dinitrobenzene
- 107-21-1
ethylene glycol
A
- 2831-60-9
2-(2,4-dinitrophenoxy)ethanol
B
- 106-48-9
4-chloro-phenol
| Conditions | Yield |
|---|---|
| Conditions | Yield |
|---|---|
| In water; ethylene glycol |
| Conditions | Yield |
|---|---|
| In water; ethylene glycol |
Ethanol,2-(2,4-dinitrophenoxy)- 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
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