4,6-Dimethoxyindoline-2,3-dione - CAS 21544-81-0

Catalog:	BB046627
Product Name:	4,6-Dimethoxyindoline-2,3-dione
CAS:	21544-81-0
Synonyms:	4,6-Dimethoxyisatin; 4,6-dimethoxy-2,3-dihydro-1H-indole-2,3-dione; 1H-Indole-2,3-dione, 4,6-dimethoxy-; 4,6-dimethoxy-2,3-dioxoindoline

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	4,6-dimethoxy-1H-indole-2,3-dione
Description:	4,6-Dimethoxyindoline-2,3-dione (CAS# 21544-81-0 ) is a useful research chemical.
Molecular Weight:	207.18
Molecular Formula:	C10H9NO4
Canonical SMILES:	COC1=CC2=C(C(=C1)OC)C(=O)C(=O)N2
InChI:	InChI=1S/C10H9NO4/c1-14-5-3-6-8(7(4-5)15-2)9(12)10(13)11-6/h3-4H,1-2H3,(H,11,12,13)
InChI Key:	FAMGTYWNHVETJC-UHFFFAOYSA-N
Melting Point:	300-304 °C
Purity:	≥ 95 %
Density:	1.332 g/cm³

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Related Functional Groups

Indoles

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[20776-45-8]
5-Benzyloxytryptamine
[119910-45-1]
2-bromo-1H-indole-3-carbaldehyde
[37033-95-7]
Ethyl 5-(benzyloxy)-1H-indole-2-carboxylate
[84639-06-5]
Ethyl 7-(benzyloxy)-1H-indole-2-carboxylate
[20538-12-9]
Ethyl 7-methoxy-1H-indole-2-carboxylate

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	291
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.05315777
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	207.05315777
Rotatable Bond Count:	2
Topological Polar Surface Area:	64.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7