7-Chloroisatin - CAS 7477-63-6

Catalog:	BB035159
Product Name:	7-Chloroisatin
CAS:	7477-63-6
Synonyms:	7-chloro-1H-indole-2,3-dione

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Computed Properties

IUPAC Name:	7-chloro-1H-indole-2,3-dione
Description:	7-Chloroisatin (CAS# 7477-63-6) is a useful research chemical.
Molecular Weight:	181.58
Molecular Formula:	C8H4ClNO2
Canonical SMILES:	C1=CC2=C(C(=C1)Cl)NC(=O)C2=O
InChI:	InChI=1S/C8H4ClNO2/c9-5-3-1-2-4-6(5)10-8(12)7(4)11/h1-3H,(H,10,11,12)
InChI Key:	MPLXQMMMGDYXIT-UHFFFAOYSA-N
Melting Point:	187-191 °C
Purity:	98 %
Density:	1.519 g/cm³
Appearance:	Orange powder
MDL:	MFCD00022796
LogP:	1.61280

Publication Number	Title	Priority Date
CN-111777619-A	2-oxo spiro [ indoline-3, 4' -pyran ] ketone compound and synthesis method and application thereof	20200814
CN-111574426-A	Diamine monomer containing isoindigo structure and black polyimide synthesized from diamine monomer	20200527
CN-111187233-A	Polysubstituted benzothiazole and derivative and synthesis method thereof	20200118
CN-110964018-A	Indole derivative and application thereof	20191203
WO-2021105916-A1	Sulfonamide compounds targeting cd73 and adenosine receptors	20191126

PMID	Publication Date	Title	Journal
21838297	20110928	Chemical synthesis, in vitro acetohydroxyacid synthase (AHAS) inhibition, herbicidal activity, and computational studies of isatin derivatives	Journal of agricultural and food chemistry
21580131	20091204	7-Chloro-indoline-2,3-dione	Acta crystallographica. Section E, Structure reports online
19707325	20070601	Biological targets for isatin and its analogues: Implications for therapy	Biologics : targets & therapy
17378546	20070419	Selective inhibition of carboxylesterases by isatins, indole-2,3-diones	Journal of medicinal chemistry

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Related Functional Groups

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[1375064-48-4]
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[467458-46-4]
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GHS Hazard Statement:	H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, 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:	1.5