- 6-Nitroindole
- 6-Nitroindole-3-carboxylic acid
- 4769-97-54-Nitroindole
- 4770-32-5Ethanone,1-(2,3-dihydro-5-hydroxy-1H-indol-1-yl)-
- 4770-34-7Ethanone,1-(2,3-dihydro-6-hydroxy-1H-indol-1-yl)-
- 4770-36-9Ethanone, 1-(2,3-dihydro-7-hydroxy-1H-indol-1-yl)-
- 4770-37-01H-Indol-6-ol,2,3-dihydro-
- 4770-41-61H-Indole,2,3-dihydro-6-methoxy-, hydrochloride (1:1)
- 4771-31-74-(Chloromethyl)-2-phenyl-1,3-thiazole
- 4771-47-5Benzoicacid, 3-chloro-2-nitro-
- 4771-48-61H-Indole-3-carboxaldehyde, 4-methyl-
- 4771-49-71H-Indole-3-carboxaldehyde,6-methyl-
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Cas Database |
| Name |
6-Nitroindole |
EINECS | 225-311-0 |
| CAS No. | 4769-96-4 | Density | 1.425 g/cm3 |
| PSA | 61.61000 | LogP | 2.59930 |
| Solubility | N/A | Melting Point |
137-143 °C |
| Formula | C8H6N2O2 | Boiling Point | 362.6 °C at 760 mmHg |
| Molecular Weight | 162.148 | Flash Point | 173.1 °C |
| Transport Information | N/A | Appearance | yellow to brown-yellow powder |
| Safety | 45-36/37 | Risk Codes | 68 |
| Molecular Structure |
|
Hazard Symbols |
 Xn
|
| Synonyms |
1H-Indole, 6-nitro-;6-Nitro-1H-indole; |
Article Data | 31 |
6-Nitroindole Synthetic route
- 19727-83-4
6-nitroindoline
- 4769-96-4
6-nitroindole
| Conditions | Yield |
|---|---|
| With oxygen; salcomine In methanol at 25℃; for 5h; | 92% |
| With manganese(IV) oxide In dichloromethane at 0 - 20℃; for 12h; Inert atmosphere; | 92% |
| With isolated cobalt single atom sites stabilized on an ordered porous nitrogen doped carbon matrix In 1,3,5-trimethyl-benzene at 120℃; for 8h; Schlenk technique; | 92% |
- 4769-96-4
6-nitroindole
| Conditions | Yield |
|---|---|
| In ethylene glycol at 170℃; Retro Diels-Alder reaction; Inert atmosphere; | 92% |
- 1245255-75-7
2-ethynyl-5-nitroaniline
- 4769-96-4
6-nitroindole
| Conditions | Yield |
|---|---|
| With [cyclopentadienylruthenium(II) bis-(2-diphenylphosphino-6-t-butylpyridine)(acetonitrile)]hexafluorophosphate In tetrahydrofuran-d8 at 70℃; for 2h; Sealed tube; | 92% |
| Conditions | Yield |
|---|---|
| With sodium tungstate; dihydrogen peroxide In methanol; water at 20℃; for 7h; | A 7% B 79% |
- 4769-96-4
6-nitroindole
| Conditions | Yield |
|---|---|
| With Amberlyst 15 In 2-methyltetrahydrofuran at 100℃; for 0.75h; Microwave irradiation; | 70% |
| Conditions | Yield |
|---|---|
| In methanol; N,N-dimethyl-formamide for 0.0833333h; Heating; | A 57% B 22% C 6% |
| Conditions | Yield |
|---|---|
| In water; N,N-dimethyl-formamide for 1h; Heating; | A 54% B 13% |
| Conditions | Yield |
|---|---|
| Stage #1: 2,4-dinitrotoluene; N,N-dimethyl-formamide dimethyl acetal With pyrrolidine In 1,4-dioxane at 102℃; for 5h; Leimgruber-Batcho Indole Synthesis; Reflux; Inert atmosphere; Stage #2: With hydrazine hydrate In 1,4-dioxane at 45℃; for 1h; Leimgruber-Batcho Indole Synthesis; | 52% |
- 105-53-3
diethyl malonate
- 125812-46-6
1-methoxy-6-nitroindole
A
- 4769-96-4
6-nitroindole
B
- 22980-05-8
diethyl 2-(6-nitroindol-3-yl)methylmalonate
| Conditions | Yield |
|---|---|
| With potassium hydride In N,N-dimethyl-formamide for 0.0833333h; Heating; | A 20% B 40% C 5% |
| Conditions | Yield |
|---|---|
| In water; N,N-dimethyl-formamide for 1h; Heating; | A 4% B 15% |
6-Nitroindole Specification
The IUPAC name of 6-Nitroindole is 6-nitro-1H-indole. With the CAS registry number 4769-96-4, it is also named as 1H-Indole, 6-nitro-. The product's categories are Blocks; Indoles Oxindoles; Nitro Compounds; Indoles and Derivatives; Pharmacetical; Indole Derivative; Indoles; Simple Indoles. Besides, it is yellow to brown-yellow powder, which should be stored in sealed, dark, ventilated and dry place at room temperature. In addition, its molecular formula is C8H6N2O2 and molecular weight is 162.15.
The other characteristics of this product can be summarized as: (1)EINECS: 225-311-0; (2)ACD/LogP: 1.87; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 1.87; (5)ACD/LogD (pH 7.4): 1.87; (6)ACD/BCF (pH 5.5): 15.6; (7)ACD/BCF (pH 7.4): 15.6; (8)ACD/KOC (pH 5.5): 248.67; (9)ACD/KOC (pH 7.4): 248.67; (10)#H bond acceptors: 4; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 1; (13)Index of Refraction: 1.723; (14)Molar Refractivity: 45.07 cm3; (15)Molar Volume: 113.7 cm3; (16)Surface Tension: 67.7 dyne/cm; (17)Density: 1.425 g/cm3; (18)Flash Point: 173.1 °C; (19)Melting Point: 137-143 °C; (20)Enthalpy of Vaporization: 58.46 kJ/mol; (21)Boiling Point: 362.6 °C at 760 mmHg; (22)Vapour Pressure: 3.98E-05 mmHg at 25 °C.
Preparation of 6-Nitroindole: this chemical can be prepared by 6-Nitro-indoline.
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This reaction needs O2, Bis(salicylidene)ethylenediaminatoCo(II) and Methanol at temperature of 25 °C. The reaction time is 5 hours. The yield is 92 %.
Uses of 6-Nitroindole: this chemical is used as organic reagent and pharmaceutical intermediate. Moreover, it can be used to produce Indol-6-ylamine.
.jpg)
This reaction needs H2, 10 percent Pd/C and Ethyl acηte. The yield is 100 %.
When you are using this chemical, please be cautious about it as the following: it is possible risk of irreversible effects. You should wear suitable protective clothing and gloves. In case of accident or if you feel unwell, please seek medical advice immediately (show the label whenever possible.)
People can use the following data to convert to the molecule structure.
(1)SMILES: c1cc(cc2c1cc[nH]2)[N+](=O)[O-]
(2)InChI: InChI=1/C8H6N2O2/c11-10(12)7-2-1-6-3-4-9-8(6)5-7/h1-5,9H
(3)InChIKey: PSWCIARYGITEOY-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C8H6N2O2/c11-10(12)7-2-1-6-3-4-9-8(6)5-7/h1-5,9H
(5)Std. InChIKey: PSWCIARYGITEOY-UHFFFAOYSA-N
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