5-Chloroisatin - CAS 17630-76-1

Catalog:	BB013211
Product Name:	5-Chloroisatin
CAS:	17630-76-1
Synonyms:	1H-Indole-2,3-dione, 5-chloro-; Indole-2,3-dione, 5-chloro-; Isatin, 5-chloro-; 5-Chloro-2,3-indoledione; 5-Chloro-2,3-indolinedione; NSC 135811

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

Related CAS:	1456796-45-4 (Deleted CAS)
IUPAC Name:	5-chloro-1H-indole-2,3-dione
Molecular Weight:	181.58
Molecular Formula:	C8H4ClNO2
Canonical SMILES:	C1=CC2=C(C=C1Cl)C(=O)C(=O)N2
InChI:	InChI=1S/C8H4ClNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)
InChI Key:	XHDJYQWGFIBCEP-UHFFFAOYSA-N
Melting Point:	246-247°C
Purity:	≥95%
Density:	1.519±0.06 g/cm3
Appearance:	Pale yellow to reddish or yellow-brownish powder
Storage:	Store at RT
MDL:	MFCD00014567
LogP:	1.61280

Publication Number	Title	Priority Date
CN-112608277-A	Fluorine-containing quinoline ester compound and preparation method and application thereof	20201229
CN-112574273-A	Triterpenoid with anti-fibrosis function and preparation method thereof	20201225
CN-112574273-B	Triterpenoid with anti-fibrosis function and preparation method thereof	20201225
CN-112538041-A	Bimolecular indole-2, 3-dione derivative and application thereof	20201207
CN-111777619-A	2-oxo spiro [ indoline-3, 4' -pyran ] ketone compound and synthesis method and application thereof	20200814

PMID	Publication Date	Title	Journal
22606115	20120401	5-Chloro-spiro-[indoline-3,7'-6H,7H,8H-pyrano[3,2-c:5,6-c']di[1]benzopyran]-2,6',8'-trione	Acta crystallographica. Section E, Structure reports online
22606200	20120401	(Z)-2-(5-Chloro-2-oxoindolin-3-yl-idene)-N-methyl-hydrazinecarbothio-amide	Acta crystallographica. Section E, Structure reports online
22199669	20111201	(Z)-2-(5-Chloro-2-oxoindolin-3-yl-idene)-N-phenyl-hydrazinecarbothio-amide	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
21455295	20110324	Small-molecule inhibitor leads of ribosome-inactivating proteins developed using the doorstop approach	PloS one

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Related Functional Groups

Indoles

[1884330-89-5]
1-Methyl-1H-indole-5-D
[53995-78-1]
Ethyl 5,6-dichloro-1H-indole-2-carboxylate
[365547-91-7]
Ethyl 2-amino-5-chloro-1H-indole-3-carboxylate
[1375064-59-7]
Ethyl 3-Bromoindole-1-carboxylate
[37033-95-7]
Ethyl 5-(benzyloxy)-1H-indole-2-carboxylate
[496-12-8]
Isoindoline

Indolines

[2759-12-8]
Indolin-7-amine
[14204-27-4]
N-(Phenylthio)phthalimide
[350683-40-8]
Ethyl indoline-6-carboxylate
[179536-52-8]
4-Iodo-2-indolinone
[61394-50-1]
5-Cyanooxindole
[335164-27-7]
1-(tert-Butyl) 2-methyl (2S,4S)-4-(1,3-dioxoisoindolin-2-yl)pyrrolidine-1,2-dicarboxylate

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	241
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	180.9930561
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	180.9930561
Rotatable Bond Count:	0
Topological Polar Surface Area:	46.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3