5-Nitroquinoline - CAS 607-34-1

Catalog:	BB030786
Product Name:	5-Nitroquinoline
CAS:	607-34-1
Synonyms:	5-nitroquinoline

Technical Data

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Computed Properties

IUPAC Name:	5-nitroquinoline
Description:	5-Nitroquinoline (CAS# 607-34-1) is a useful research chemical compound.
Molecular Weight:	174.16
Molecular Formula:	C9H6N2O2
Canonical SMILES:	C1=CC2=C(C=CC=N2)C(=C1)[N+](=O)[O-]
InChI:	InChI=1S/C9H6N2O2/c12-11(13)9-5-1-4-8-7(9)3-2-6-10-8/h1-6H
InChI Key:	NDDZXHOCOKCNBM-UHFFFAOYSA-N
Boiling Point:	323.1 ℃ at 760 mmHg
Density:	1.354 g/cm³
Appearance:	White to light yellow crystal powder
MDL:	MFCD00006790
LogP:	2.66620

Publication Number	Title	Priority Date
CN-113292468-A	Preparation method of all-trans beta-carotene	20210628
CN-112110936-A	Tetrahydroquinoline derivative and preparation method and application thereof	20190620
WO-2020187548-A1	Gas-activated cyanoacrylates for 3d-printing	20190315
EP-3708370-A1	3d-printing method using gas-activated cyanoacrylates	20190315
CN-109467533-A	A kind of 8-hydroxyquinoline class compound and preparation method thereof and the purposes in prevention and treatment agricultural disease	20181214

PMID	Publication Date	Title	Journal
25462220	20150107	Antimycobacterial activity of natural products and synthetic agents: pyrrolodiquinolines and vermelhotin as anti-tubercular leads against clinical multidrug resistant isolates of Mycobacterium tuberculosis	European journal of medicinal chemistry
22728969	20121001	Experimental and theoretical quantum chemical investigations of 8-hydroxy-5-nitroquinoline	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
22608675	20120801	Discovery of a new antileishmanial hit in 8-nitroquinoline series	European journal of medicinal chemistry
22619628	20120101	The use of silver solid amalgam electrodes for voltammetric and amperometric determination of nitrated polyaromatic compounds used as markers of incomplete combustion	TheScientificWorldJournal
11433773	20010601	[Formations and reactions of aromatic furazan compounds]	Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan

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[4965-34-8]
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[491-30-5]
Isocarbostyril
[1745-07-9]
Isoquinoline,1,2,3,4-tetrahydro-6,7-dimethoxy-
[486-73-7]
Isoquinoline-1-carboxylic acid

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P308+P313, P312, P322, P330, P363, P405, and P501
Signal Word:	Warning

Complexity:	202
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.042927438
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	174.042927438
Rotatable Bond Count:	0
Topological Polar Surface Area:	58.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9