5-Nitroisatin - CAS 611-09-6

Catalog:	BB030951
Product Name:	5-Nitroisatin
CAS:	611-09-6
Synonyms:	5-nitro-1H-indole-2,3-dione

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	5-nitro-1H-indole-2,3-dione
Description:	5-Nitroisatin (CAS# 611-09-6) is a useful research chemical.
Molecular Weight:	192.13
Molecular Formula:	C8H4N2O4
Canonical SMILES:	C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=O)N2
InChI:	InChI=1S/C8H4N2O4/c11-7-5-3-4(10(13)14)1-2-6(5)9-8(7)12/h1-3H,(H,9,11,12)
InChI Key:	UNMYHYODJHKLOC-UHFFFAOYSA-N
Purity:	> 98.0 % (LC) (T)
Density:	1.609 g/cm³
Appearance:	Orange-yellow to orange crystalline powder
MDL:	MFCD00005720
LogP:	1.39080

Publication Number	Title	Priority Date
CN-112898290-A	Isoxazole formamido-4 (3H) -quinazolinone derivative and synthesis method and application thereof	20210129
CN-111747883-A	1-benzyl isatin derivative and synthesis method and application thereof	20200723
WO-2021207158-A1	Reusable initiators for synthesizing nucleic acids	20200406
WO-2021186348-A1	Dihydro-spiro[indoline-3:1'-isoquinolin]-2-ones as antimalarial agents	20200317
WO-2021146338-A1	Rodent model and related device, compositions, methods and systems	20200113

PMID	Publication Date	Title	Journal
22434542	20120514	Fully-branched hyperbranched polymers with a diselenide core as glutathione peroxidase mimics	Macromolecular rapid communications
22590015	20120401	(Z)-N-Methyl-2-(5-nitro-2-oxoindolin-3-yl-idene)hydrazinecarbothio-amide	Acta crystallographica. Section E, Structure reports online
22412569	20120301	(Z)-4-(3-Fluoro-phen-yl)-1-(5-nitro-2-oxo-indolin-3-yl-idene)thio-semicarbazide	Acta crystallographica. Section E, Structure reports online
22219899	20111101	1-(5-Nitro-2-oxoindolin-3-yl-idene)thio-semicarbazide	Acta crystallographica. Section E, Structure reports online
21838297	20110928	Chemical synthesis, in vitro acetohydroxyacid synthase (AHAS) inhibition, herbicidal activity, and computational studies of isatin derivatives	Journal of agricultural and food chemistry

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Related Functional Groups

Indoles

[109021-59-2]
7-Methoxy-1H-indole-3-carbaldehyde
[84639-06-5]
Ethyl 7-(benzyloxy)-1H-indole-2-carboxylate
[20538-12-9]
Ethyl 7-methoxy-1H-indole-2-carboxylate
[1477-50-5]
Indole-2-carboxylic acid
[1670-82-2]
Indole-6-carboxylic acid
[496-15-1]
Indoline

Indolines

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N-(3-Indolinylmethyl)benzylamine
[930790-08-2]
5-Phenoxyindoline
[1002309-19-4]
2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoindolin-1-one
[75805-17-3]
3-[4-(diethylamino)phenyl]-3-(1-ethyl-2-methyl-1H-indol-3-yl)phthalide
[391212-30-9]
2-(2-(Vinyloxy)ethoxy)isoindoline-1,3-dione
[1427356-93-1]
5-Bromo-6-methoxyisoindolin-1-one

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GHS Hazard Statement:	H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P308+P313, P312, P322, P330, P363, P405, and P501
Signal Word:	Warning

Complexity:	309
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.01710661
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	192.01710661
Rotatable Bond Count:	0
Topological Polar Surface Area:	92 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5