4-Bromo-6-fluoroquinoline - CAS 661463-17-8

Catalog:	BB032924
Product Name:	4-Bromo-6-fluoroquinoline
CAS:	661463-17-8
Synonyms:	4-bromo-6-fluoroquinoline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-bromo-6-fluoroquinoline
Description:	4-Bromo-6-fluoroquinoline (CAS# 661463-17-8) is a useful research chemical.
Molecular Weight:	226.05
Molecular Formula:	C9H5BrFN
Canonical SMILES:	C1=CC2=NC=CC(=C2C=C1F)Br
InChI:	InChI=1S/C9H5BrFN/c10-8-3-4-12-9-2-1-6(11)5-7(8)9/h1-5H
InChI Key:	HIWPTYUKGHNQCU-UHFFFAOYSA-N
Boiling Point:	299.7 °C at 760 mmHg
Purity:	95 %
Density:	1.647 g/cm³
LogP:	3.13640

Publication Number	Title	Priority Date
CN-113045488-A	Indoleamine 2, 3-dioxygenase inhibitors	20191227
US-2021147386-A1	Pyrrolidine and piperidine compounds	20191106
WO-2021090245-A1	Pyrrolidine and piperidine compounds	20191106
WO-2020233676-A1	Amide-substituted imidazo compounds as selective inhibitors of indoleamine 2, 3-dioxygenases	20190522
WO-2020233677-A1	Process for preparing amide-substituted imidazo compounds	20190522

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501
Signal Word:	Danger

Complexity:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	224.95894
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	224.95894
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3