5-Iodoindole - CAS 16066-91-4

Catalog:	BB011659
Product Name:	5-Iodoindole
CAS:	16066-91-4
Synonyms:	5-iodo-1H-indole

Technical Data

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Computed Properties

IUPAC Name:	5-iodo-1H-indole
Description:	5-Iodoindole (CAS# 16066-91-4) is a useful research chemical.
Molecular Weight:	243.04
Molecular Formula:	C8H6IN
Canonical SMILES:	C1=CC2=C(C=CN2)C=C1I
InChI:	InChI=1S/C8H6IN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
InChI Key:	TVQLYTUWUQMGMP-UHFFFAOYSA-N
Boiling Point:	341.7 °C at 760 mmHg
Melting Point:	101-104 °C
Density:	1.96 g/cm³
MDL:	MFCD00220065
LogP:	2.77250

Publication Number	Title	Priority Date
CN-112574093-A	Novel green method for preparing 3-diaryl methyl substituted indole compound	20210129
CN-112479972-A	Synthesis method of 5-iodoindole compound	20210128
CN-112479969-A	1, 3-di (1H-indole) group-1-fluorine-1-propylene derivative and synthetic method thereof	20201109
CN-112281182-A	Method for preparing deuterated aromatic hydrocarbon under electrochemical condition	20201029
CN-112225684-A	Synthetic method of organic intermediate 5-iodoindole	20201027

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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
[2170450-99-2]
4-Methyl-1-(phenylsulfonyl)-1H-indole-2-carbonitrile
[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
[1375064-43-9]
Ethyl 3-Bromo-7-methylindole-1-carboxylate

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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:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	242.95450
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	242.95450
Rotatable Bond Count:	0
Topological Polar Surface Area:	15.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3