4-Nitroisatin supplier | CasNO.61394-93-2

Name
4-NITRO-2,3-DIOXYINDOLE
EINECS
CAS No. 61394-93-2
Article Data5
CAS DataBase
Density 1.609 g/cm³
Solubility
Melting Point
Formula C₈H₄N₂O₄
Boiling Point
Molecular Weight 192.131
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Nitro-2,3-dioxyindole;
PSA 91.99000
LogP 1.39080

Synthetic route

: 91-56-5
indole-2,3-dione

: 61394-93-2
4-nitro-1H-indole-2,3-dione

Conditions

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

Conditions	Yield
With sulfuric acid at 50 - 80℃; for 20.1667h;	26%

: 61394-93-2
4-nitro-1H-indole-2,3-dione

: 504-02-9
1,3-cylohexanedione

: 109-77-3
malononitrile

: C17H12N4O5

Conditions

Conditions	Yield
With NiO nanoparticles on the graphitic carbon nitride nanosheets In ethanol at 80℃; for 0.0333333h;	95%

...Expand

: 1076-38-6
4-hydroxy[1]benzopyran-2-one

: 61394-93-2
4-nitro-1H-indole-2,3-dione

: 109-77-3
malononitrile

: C20H10N4O6

Conditions

Conditions	Yield
With NiO nanoparticles on the graphitic carbon nitride nanosheets In ethanol at 80℃; for 0.0833333h;	93%

...Expand

: 118-48-9
isatoic anhydride

: 61394-93-2
4-nitro-1H-indole-2,3-dione

: 106-49-0
p-toluidine

: -nitro-3'-(p-tolyl)-1'H-spiro[indoline-3,2'-quinazoline]-2,4'(3'H)-dione

Conditions

Conditions	Yield
With Tau In water for 6.5h; Reflux; Green chemistry;	90%

...Expand

: 118-48-9
isatoic anhydride

: 61394-93-2
4-nitro-1H-indole-2,3-dione

: 62-53-3
aniline

: C21H14N4O4

Conditions

Conditions	Yield
With Tau In water for 6h; Reflux; Green chemistry;	89%

...Expand

: 118-48-9
isatoic anhydride

: 61394-93-2
4-nitro-1H-indole-2,3-dione

: 104-94-9
4-methoxy-aniline

: 3'-(4-methoxyphenyl)-4-nitro-1'H-spiro[indoline-3,2'-quinazoline]-2,4'(3'H)-dione

Conditions

Conditions	Yield
With Tau In water for 6h; Reflux; Green chemistry;	88%

...Expand

: 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

: C25H19N5O4S

Conditions

Conditions	Yield
In ethanol; water for 3h; Reflux;	73%

...Expand

: 61394-93-2
4-nitro-1H-indole-2,3-dione

: 3367-89-3
3-(3-pyridinylmethylidene)-2-oxindole

: 609-36-9
rac-Pro-OH

: C26H21N5O4

Conditions

Conditions	Yield
In ethanol; water for 3h; Reflux;	66%

...Expand

: 61394-93-2
4-nitro-1H-indole-2,3-dione

: 63-91-2
L-phenylalanine

: 3367-89-3
3-(3-pyridinylmethylidene)-2-oxindole

: C30H23N5O4

Conditions

Conditions	Yield
With air In ethanol; water for 3h; Reflux;	35%

...Expand

: 61394-93-2
4-nitro-1H-indole-2,3-dione

: 17852-52-7, 27918-19-0
4-hydrazinobenzene-1-sulfonamide hydrochloride

: 4-[N'-(4-nitro-2-oxo-1,2-dihydro-indol-3-ylidene)hydrazino]benzenesulfonamide

Conditions

Conditions	Yield
In ethanol for 2h; Heating;	33%

: 61394-93-2
4-nitro-1H-indole-2,3-dione

: 222034-75-5, 388626-46-8
4-[N'-(4-Nitro-2-oxo-1,2-dihydro-indol-3-ylidene)-hydrazino]-benzenesulfonamide

Conditions

Conditions	Yield
	33%

: 61394-93-2
4-nitro-1H-indole-2,3-dione

: 98-86-2
acetophenone

: C17H14N2O5

Conditions

Conditions	Yield
With pyrrolidine In ethanol for 3h; Reflux;	18%

: 608-08-2
3-indoxyl acetate

: 61394-93-2
4-nitro-1H-indole-2,3-dione

: 1257060-34-6
4-nitroindirubin

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In ethanol at 65 - 70℃; for 3h;	15%

: 941-98-0
1'-naphthacetophenone

: 61394-93-2
4-nitro-1H-indole-2,3-dione

: C21H16N2O5

Conditions

Conditions	Yield
With pyrrolidine In ethanol for 3h; Reflux;

: 2879-20-1
1,4-benzodioxan-6-yl methyl ketone

: 61394-93-2
4-nitro-1H-indole-2,3-dione

: C19H16N2O7

Conditions

Conditions	Yield
With pyrrolidine In ethanol for 3h; Reflux;

: 61394-93-2
4-nitro-1H-indole-2,3-dione

: 937-30-4
4-ethylacetophenone

: C19H18N2O5

Conditions

Conditions	Yield
With pyrrolidine In ethanol for 3h; Reflux;

: 61394-93-2
4-nitro-1H-indole-2,3-dione

: 99-91-2
para-chloroacetophenone

: C17H13ClN2O5

Conditions

Conditions	Yield
With pyrrolidine In ethanol for 3h; Reflux;

: 61394-93-2
4-nitro-1H-indole-2,3-dione

: 99-90-1
para-bromoacetophenone

: C17H13BrN2O5

Conditions

Conditions	Yield
With pyrrolidine In ethanol for 3h; Reflux;

: 61394-93-2
4-nitro-1H-indole-2,3-dione

: 122-00-9
para-methylacetophenone

: C18H16N2O5

Conditions

Conditions	Yield
With pyrrolidine In ethanol for 3h; Reflux;

: 61394-93-2
4-nitro-1H-indole-2,3-dione

: 2234-16-4
1-(2,4-dichlorophenyl)ethan-1-one

: C17H12Cl2N2O5

Conditions

Conditions	Yield
With pyrrolidine In ethanol for 3h; Reflux;

: 61394-93-2
4-nitro-1H-indole-2,3-dione

: 100-06-1
1-(4-methoxyphenyl)ethanone

: C18H16N2O6

Conditions

Conditions	Yield
With pyrrolidine In ethanol for 3h; Reflux;

: 61394-93-2
4-nitro-1H-indole-2,3-dione

: 2642-63-9
3',4'-dichloroacetophenone

: C17H12Cl2N2O5

Conditions

Conditions	Yield
With pyrrolidine In ethanol for 3h; Reflux;

: 61394-93-2
4-nitro-1H-indole-2,3-dione

: 1131-62-0
1-(3,4-dimethoxyphenyl)ethanone

: C19H18N2O7

Conditions

Conditions	Yield
With pyrrolidine In ethanol for 3h; Reflux;

: 61394-93-2
4-nitro-1H-indole-2,3-dione

: 537-47-3
4-phenyl-semicarbazide

: 1380571-03-8
C15H11N5O4

Conditions

Conditions	Yield
With acetic acid In ethanol Microwave irradiation;

4-Nitroisatin 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

Product Name

4-NITRO-2,3-DIOXYINDOLE

Synthetic route

4-Nitroisatin Specification

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