4-Chloro-3-nitroquinoline - CAS 39061-97-7

Catalog:	BB023830
Product Name:	4-Chloro-3-nitroquinoline
CAS:	39061-97-7
Synonyms:	4-chloro-3-nitroquinoline; 4-chloro-3-nitroquinoline

Technical Data

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Patents

Computed Properties

IUPAC Name:	4-chloro-3-nitroquinoline
Description:	4-Chloro-3-nitroquinoline (CAS# 39061-97-7) is a compound useful in organic synthesis.
Molecular Weight:	208.60
Molecular Formula:	C9H5ClN2O2
Canonical SMILES:	C1=CC=C2C(=C1)C(=C(C=N2)[N+](=O)[O-])Cl
InChI:	InChI=1S/C9H5ClN2O2/c10-9-6-3-1-2-4-7(6)11-5-8(9)12(13)14/h1-5H
InChI Key:	ZRFUZDDJSQVQBY-UHFFFAOYSA-N
Boiling Point:	333.8 °C at 760 mmHg
Density:	1.484 g/cm³
Appearance:	Light yellow powder
MDL:	MFCD07369246
LogP:	3.31960

Publication Number	Title	Priority Date
CN-113461679-A	Synthesis of benzazepine isatin compound	20210629
CN-112979546-A	Butyrylcholine esterase selective inhibitor and preparation method and application thereof	20210225
WO-2021202921-A1	Imidazoquinoline-type compounds and uses thereof	20200401
CN-110693850-A	Preparation method of imiquimod chitosan nanoparticles	20190919
WO-2021007277-A1	Compounds and methods for the treatment and prevention of fibrotic disease states and cancer	20190708

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Related Functional Groups

Nitrogen Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[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
[514801-07-1]
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde
[7492-88-8]
3-piperidinecarbonitrile

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:	231
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.0039551
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	208.0039551
Rotatable Bond Count:	0
Topological Polar Surface Area:	58.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6