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| CAS No.: | 61394-93-2 |
|---|---|
| Name: | 4-NITRO-2,3-DIOXYINDOLE |
| Molecular Structure: | |
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| Formula: | C8H4N2O4 |
| Molecular Weight: | 192.131 |
| Synonyms: | 4-Nitro-2,3-dioxyindole; |
| Density: | 1.609 g/cm3 |
| PSA: | 91.99000 |
| LogP: | 1.39080 |
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- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 91-56-5
indole-2,3-dione
- 61394-93-2
4-nitro-1H-indole-2,3-dione
| Conditions | Yield |
|---|---|
| With copper(II) nitrate In water; acetic acid for 0.025h; Nitration; microwave irradiation; | 68% |
- 17122-61-1
3-nitroisonitrosoacetanilide
- 61394-93-2
4-nitro-1H-indole-2,3-dione
| Conditions | Yield |
|---|---|
| With sulfuric acid at 50 - 80℃; for 20.1667h; | 26% |
| Conditions | Yield |
|---|---|
| With NiO nanoparticles on the graphitic carbon nitride nanosheets In ethanol at 80℃; for 0.0333333h; | 95% |
| Conditions | Yield |
|---|---|
| With NiO nanoparticles on the graphitic carbon nitride nanosheets In ethanol at 80℃; for 0.0833333h; | 93% |
| Conditions | Yield |
|---|---|
| With Tau In water for 6.5h; Reflux; Green chemistry; | 90% |
| Conditions | Yield |
|---|---|
| With Tau In water for 6h; Reflux; Green chemistry; | 89% |
| Conditions | Yield |
|---|---|
| With Tau In water for 6h; Reflux; Green chemistry; | 88% |
- 61394-93-2
4-nitro-1H-indole-2,3-dione
- 3367-89-3
3-(3-pyridinylmethylidene)-2-oxindole
- 444-27-9, 19291-02-2, 34592-47-7, 45521-09-3
(RS)-4-thiazolidinecarboxylic acid
| Conditions | Yield |
|---|---|
| In ethanol; water for 3h; Reflux; | 73% |
- 61394-93-2
4-nitro-1H-indole-2,3-dione
- 3367-89-3
3-(3-pyridinylmethylidene)-2-oxindole
- 609-36-9
rac-Pro-OH
| Conditions | Yield |
|---|---|
| In ethanol; water for 3h; Reflux; | 66% |
- 61394-93-2
4-nitro-1H-indole-2,3-dione
- 63-91-2
L-phenylalanine
- 3367-89-3
3-(3-pyridinylmethylidene)-2-oxindole
| Conditions | Yield |
|---|---|
| With air In ethanol; water for 3h; Reflux; | 35% |
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Specification
The 4-Nitroisatin, with the CAS registry number 61394-93-2, is also known as 4-Nitro-2,3-dioxyindole. This chemical's molecular formula is C8H4N2O4 and molecular weight is 192.13. What's more, its systematic name is 4-Nitro-1H-indole-2,3-dione.
Physical properties of 4-Nitroisatin are: (1)ACD/LogP: 0.289; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.29; (4)ACD/LogD (pH 7.4): 0.24; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 34.17; (8)ACD/KOC (pH 7.4): 30.59; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 91.99 Å2; (13)Index of Refraction: 1.658; (14)Molar Refractivity: 43.97 cm3; (15)Molar Volume: 119.394 cm3; (16)Polarizability: 17.431×10-24cm3; (17)Surface Tension: 72.3 dyne/cm; (18)Density: 1.609 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cccc2c1C(=O)C(=O)N2
(2)Std. InChI: InChI=1S/C8H4N2O4/c11-7-6-4(9-8(7)12)2-1-3-5(6)10(13)14/h1-3H,(H,9,11,12)
(3)Std. InChIKey: TYITZWXVYYSISG-UHFFFAOYSA-N