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Name |
Benzenamine, 2-ethoxy-4-nitro- |
EINECS | 240-431-3 |
CAS No. | 16383-89-4 | Density | 1.264 g/cm3 |
PSA | 81.07000 | LogP | 2.68010 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H10N2O3 | Boiling Point | 369.4 °C at 760 mmHg |
Molecular Weight | 182.179 | Flash Point | 177.2 °C |
Transport Information | N/A | Appearance | COA |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Nitro-o-phenetidine;2-Ethoxy-4-nitroaniline;o-Phenetidine,4-nitro- (8CI); |
Article Data | 13 |
This chemical is called Benzenamine, 2-ethoxy-4-nitro-, and its systematic name is 2-ethoxy-4-nitroaniline. With the molecular formula of C8H10N2O3, its molecular weight is 182.18. The CAS registry number of this chemical is 16383-89-4. Additionally, its product categories are Anilines, Amides & Amines; Anisoles, Alkyloxy Compounds & Phenylacetates; Nitro Compounds.
Other characteristics of the Benzenamine, 2-ethoxy-4-nitro- can be summarised as followings: (1)ACD/LogP: 2.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.38; (4)ACD/LogD (pH 7.4): 2.38; (5)ACD/BCF (pH 5.5): 38.01; (6)ACD/BCF (pH 7.4): 38.01; (7)ACD/KOC (pH 5.5): 470.46; (8)ACD/KOC (pH 7.4): 470.48; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 58.29 Å2; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 48.34 cm3; (15)Molar Volume: 144 cm3; (16)Polarizability: 19.16×10-24cm3; (17)Surface Tension: 51 dyne/cm; (18)Density: 1.264 g/cm3; (19)Flash Point: 177.2 °C; (20)Enthalpy of Vaporization: 61.62 kJ/mol; (21)Boiling Point: 369.4 °C at 760 mmHg; (22)Vapour Pressure: 1.19E-05 mmHg at 25°C.
Production method of this chemical: The Benzenamine, 2-ethoxy-4-nitro- could be obtained by the reactants of iodoethane and 2-amino-5-nitro-phenol. This reaction needs the reagents of KOH, Bu4NCl. The yield is 92 %. In addition, this reaction should be taken for 3 hours at the temperature of 110 °C.
Uses of this chemical: The Benzenamine, 2-ethoxy-4-nitro- could react with 3-chloro-benzo[d]isothiazole 1,1-dioxide, and obtain the (1,1-dioxo-1H-λ6-benzo[d]isothiazol-3-yl)-(2-ethoxy-4-nitro-phenyl)-amine. This reaction needs the reagent of Et3N, and the solvent of acetonitrile. The yield is 70 %. In addition, this reaction should be taken for 1.5 hours. The other condition is heating.
You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)c1cc(OCC)c(cc1)N
2.InChI: InChI=1/C8H10N2O3/c1-2-13-8-5-6(10(11)12)3-4-7(8)9/h3-5H,2,9H2,1H3
3.InChIKey: OWRHDQKCCXTFFE-UHFFFAOYAA