6-Chloroindole - CAS 17422-33-2

Catalog:	BB012996
Product Name:	6-Chloroindole
CAS:	17422-33-2
Synonyms:	6-chloro-1H-indole

Technical Data

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Computed Properties

IUPAC Name:	6-chloro-1H-indole
Description:	6-Chloroindole (CAS# 17422-33-2) is a compound useful in organic synthesis.
Molecular Weight:	151.59
Molecular Formula:	C8H6ClN
Canonical SMILES:	C1=CC(=CC2=C1C=CN2)Cl
InChI:	InChI=1S/C8H6ClN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H
InChI Key:	YTYIMDRWPTUAHP-UHFFFAOYSA-N
Boiling Point:	293 °C at 760 mmHg
Purity:	97.0 %
Density:	1.331 g/cm³
MDL:	MFCD00005681
LogP:	2.82130

Publication Number	Title	Priority Date
CN-113214124-A	Monofluoromethylselenated reagent and preparation method and application thereof	20210501
CN-113024437-A	Preparation method of 4', 6-diamidino-2-phenylindole dihydrochloride	20210319
CN-112574093-A	Novel green method for preparing 3-diaryl methyl substituted indole compound	20210129
CN-112574198-A	Indolated derivative of tetrahydro-beta-carboline and preparation and application thereof	20210125
CN-112574198-B	Indolated derivative of tetrahydro-beta-carboline and preparation and application thereof	20210125

PMID	Publication Date	Title	Journal
22241067	20120101	Peculiarity of methoxy group-substituted phenylhydrazones in Fischer indole synthesis	Proceedings of the Japan Academy. Series B, Physical and biological sciences
21664180	20110901	Predication of Japanese green tea (Sen-cha) ranking by volatile profiling using gas chromatography mass spectrometry and multivariate analysis	Journal of bioscience and bioengineering
19878597	20091031	Topological analysis of a haloacid permease of a Burkholderia sp. bacterium with a PhoA-LacZ reporter	BMC microbiology
18558667	20080710	Toward prediction of alkane/water partition coefficients	Journal of medicinal chemistry

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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
[2642-37-7]
Indoxyl sulfate potassium salt
[84639-06-5]
Ethyl 7-(benzyloxy)-1H-indole-2-carboxylate
[32996-16-0]
Ethyl indole-5-carboxylate
[1477-50-5]
Indole-2-carboxylic acid
[771-50-6]
Indole-3-carboxylic acid

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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:	151.0188769
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	151.0188769
Rotatable Bond Count:	0
Topological Polar Surface Area:	15.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2