8-Fluoro-5-nitroquinoline - CAS 94832-39-0

Catalog:	BB041558
Product Name:	8-Fluoro-5-nitroquinoline
CAS:	94832-39-0
Synonyms:	8-fluoro-5-nitroquinoline; 8-fluoro-5-nitroquinoline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	8-fluoro-5-nitroquinoline
Description:	8-Fluoro-5-nitroquinoline (CAS# 94832-39-0) is a useful research chemical.
Molecular Weight:	192.15
Molecular Formula:	C9H5FN2O2
Canonical SMILES:	C1=CC2=C(C=CC(=C2N=C1)F)[N+](=O)[O-]
InChI:	InChI=1S/C9H5FN2O2/c10-7-3-4-8(12(13)14)6-2-1-5-11-9(6)7/h1-5H
InChI Key:	WOSYAMNMWPZLGF-UHFFFAOYSA-N
Boiling Point:	329.7 °C at 760 mmHg
Density:	1.446 g/cm³
Storage:	Sealed in dry, Room Temperature
LogP:	2.80530

Publication Number	Title	Priority Date
CN-112625036-A	Compound with BRD4 inhibitory activity, preparation method and application thereof	20191008
WO-2021068755-A1	Compound having brd4 inhibitory activity, preparation method therefor and use thereof	20191008
US-2021000825-A1	Tyrosine Kinase Non-Receptor 1 (TNK1) Inhibitors and Uses Thereof	20190703
WO-2021003417-A1	Tyrosine kinase non-receptor 1 (tnk1) inhibitors and uses thereof	20190703
KR-20200058443-A	Heteroaryl compounds as CXCR4 inhibitors, compositions and methods of use	20170925

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Related Functional Groups

Quinoline/Isoquinoline

[30740-95-5]
6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid hydrochloride
[1031928-21-8]
2-Chloro-7,8-dimethyl-3-phenylquinoline
[77156-78-6]
4-Hydroxy-6-methoxyquinoline-3-carboxylic acid ethyl ester
[1535306-28-5]
6-Fluoro-8-iodoquinolin-2(1H)-one
[312713-96-5]
7-Chloro-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
[19490-87-0]
7-Methoxy-2-methylquinoline

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, 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:	192.03350557
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	192.03350557
Rotatable Bond Count:	0
Topological Polar Surface Area:	58.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5