4,7-Dichloroisatin - CAS 18711-13-2

Catalog:	BB014395
Product Name:	4,7-Dichloroisatin
CAS:	18711-13-2
Synonyms:	4,7-dichloro-1H-indole-2,3-dione

Technical Data

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Computed Properties

IUPAC Name:	4,7-dichloro-1H-indole-2,3-dione
Description:	4,7-Dichloroisatin (CAS# 18711-13-2) is a useful research chemical.
Molecular Weight:	216.02
Molecular Formula:	C8H3Cl2NO2
Canonical SMILES:	C1=CC(=C2C(=C1Cl)C(=O)C(=O)N2)Cl
InChI:	InChI=1S/C8H3Cl2NO2/c9-3-1-2-4(10)6-5(3)7(12)8(13)11-6/h1-2H,(H,11,12,13)
InChI Key:	NUXYYWOWNFEMNH-UHFFFAOYSA-N
Melting Point:	251-254 °C
Purity:	95 %
Density:	1.643 g/cm³
Appearance:	Orange flakes
MDL:	MFCD00047214
LogP:	2.26620

Publication Number	Title	Priority Date
CN-110256407-B	Pyrazolone-substituted-3-hydroxyoxindole-containing derivative and preparation method thereof	20190628
WO-2019121357-A1	Novel quinoline compounds for the treatment and prophylaxis of hepatitis b virus disease	20171219
CN-111511719-A	Quinoline compounds for the treatment and prophylaxis of hepatitis b virus diseases	20171219
EP-3728192-A1	Novel quinoline compounds for the treatment and prophylaxis of hepatitis b virus disease	20171219
JP-2021506836-A	A novel quinoline compound for the treatment and prevention of hepatitis B viral disease	20171219

PMID	Publication Date	Title	Journal
17378546	20070419	Selective inhibition of carboxylesterases by isatins, indole-2,3-diones	Journal of medicinal chemistry

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

Indoles

[2170450-99-2]
4-Methyl-1-(phenylsulfonyl)-1H-indole-2-carbonitrile
[2642-37-7]
Indoxyl sulfate potassium salt
[109021-59-2]
7-Methoxy-1H-indole-3-carbaldehyde
[53995-78-1]
Ethyl 5,6-dichloro-1H-indole-2-carboxylate
[1375064-65-5]
Ethyl 3-Bromo-5-chloroindole-1-carboxylate
[1375064-48-4]
Ethyl 3-Bromo-5-fluoroindole-1-carboxylate

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Complexity:	269
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.9540837
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	214.9540837
Rotatable Bond Count:	0
Topological Polar Surface Area:	46.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2