6-Chloro-2-oxindole - CAS 56341-37-8

Catalog:	BB029331
Product Name:	6-Chloro-2-oxindole
CAS:	56341-37-8
Synonyms:	Chloroindolinone; 6-Chlorooxindole; 6-chloroindolin-2-one; 6-Chloro-1,3-dihydro-2H-indol-2-one

Technical Data

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Computed Properties

IUPAC Name:	6-chloro-1,3-dihydroindol-2-one
Description:	An impurity of Ziprasidone, a combined serotonin (5HT2) and dopamine (D2) receptor antagonist.
Molecular Weight:	167.59
Molecular Formula:	C8H6ClNO
Canonical SMILES:	C1C2=C(C=C(C=C2)Cl)NC1=O
InChI:	InChI=1S/C8H6ClNO/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-2,4H,3H2,(H,10,11)
InChI Key:	CENVPIZOTHULGJ-UHFFFAOYSA-N
Boiling Point:	329 °C at 760 mmHg
Density:	1.362 g/cm³
MDL:	MFCD00209962
LogP:	1.97260

Publication Number	Title	Priority Date
CN-112778298-A	Impurities in ziprasidone hydrochloride and preparation method thereof	20210204
CN-112961150-A	Impurities in ziprasidone hydrochloride and preparation method thereof	20210204
WO-2021188948-A1	Mdm2 degraders and uses thereof	20200319
KR-20200145076-A	Method for preparing indoleninone and method for preparing indirubin derivatives through the synthesis of indoleninone	20190620
WO-2020070331-A1	Indolinone compounds for use as map4k1 inhibitors	20181005

PMID	Publication Date	Title	Journal
21979979	20111001	6-Chloro-2-oxindole: X-ray and DFT-calculated study	Acta crystallographica. Section C, Crystal structure communications
19800913	20100101	A novel 5-HT(2A) receptor antagonist exhibits antidepressant-like effects in a battery of rodent behavioural assays: approaching early-onset antidepressants	Pharmacology, biochemistry, and behavior

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Related Functional Groups

Indoles

[2642-37-7]
Indoxyl sulfate potassium salt
[53995-78-1]
Ethyl 5,6-dichloro-1H-indole-2-carboxylate
[1375064-59-7]
Ethyl 3-Bromoindole-1-carboxylate
[37033-95-7]
Ethyl 5-(benzyloxy)-1H-indole-2-carboxylate
[84639-06-5]
Ethyl 7-(benzyloxy)-1H-indole-2-carboxylate
[1477-50-5]
Indole-2-carboxylic acid

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, P391, and P501
Signal Word:	Warning

Complexity:	183
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	167.0137915
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	167.0137915
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8