6-Indolecarbonitrile - CAS 15861-36-6

Catalog:	BB011440
Product Name:	6-Indolecarbonitrile
CAS:	15861-36-6
Synonyms:	1H-indole-6-carbonitrile; 1H-indole-6-carbonitrile

Technical Data

Safety and Hazards

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Literatures

Computed Properties

IUPAC Name:	1H-indole-6-carbonitrile
Description:	6-Indolecarbonitrile (CAS# 15861-36-6) is a compound useful in organic synthesis.
Molecular Weight:	142.16
Molecular Formula:	C9H6N2
Canonical SMILES:	C1=CC(=CC2=C1C=CN2)C#N
InChI:	InChI=1S/C9H6N2/c10-6-7-1-2-8-3-4-11-9(8)5-7/h1-5,11H
InChI Key:	SZSZDBFJCQKTRG-UHFFFAOYSA-N
Boiling Point:	350 °C at 760 mmHg
Density:	1.24 g/cm³
MDL:	MFCD00016732
LogP:	2.03958

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-112961100-A	Optically active indole compound, synthesis method and application thereof	20210224
CN-112028874-A	Synthesis method of eritinib	20200910
CN-111253300-A	Bisindole compound and preparation method and application thereof	20200330

PMID	Publication Date	Title	Journal
21522437	20110223	6-(1H-Tetra-zol-5-yl)-1H-indole monohydrate	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Nitrogen Compounds

[32894-07-8]
Benzyl thioacetimidate hydrochloride
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole

GHS Hazard Statement:	H301 (14.29%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	191
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	142.053098200
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	142.053098200
Rotatable Bond Count:	0
Topological Polar Surface Area:	39.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4