8-Fluoro-3-iodoquinoline - CAS 866782-59-4

Catalog:	BB038026
Product Name:	8-Fluoro-3-iodoquinoline
CAS:	866782-59-4
Synonyms:	8-fluoro-3-iodoquinoline; 8-fluoro-3-iodoquinoline

Technical Data

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Computed Properties

IUPAC Name:	8-fluoro-3-iodoquinoline
Description:	8-Fluoro-3-iodoquinoline (CAS# 866782-59-4) is a useful research chemical.
Molecular Weight:	273.05
Molecular Formula:	C9H5FIN
Canonical SMILES:	C1=CC2=CC(=CN=C2C(=C1)F)I
InChI:	InChI=1S/C9H5FIN/c10-8-3-1-2-6-4-7(11)5-12-9(6)8/h1-5H
InChI Key:	PFDRCQPNBZLTJQ-UHFFFAOYSA-N
Boiling Point:	324.4 °C at 760 mmHg
Density:	1.908 g/cm³
LogP:	2.97850

Publication Number	Title	Priority Date
TW-201930316-A	Heterocyclic benzene sulfonamide and the like	20171222
WO-2019122320-A1	Heterocyclic benzosultams and analogues	20171222
AU-2017291886-A1	Benzosultams and analogues and their use as fungicides	20160704
CA-3029780-A1	Benzosultams and analogues and their use as fungicides	20160704
EP-3478659-A1	Benzosultams and analogues and their use as fungicides	20160704

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Related Functional Groups

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4-Hydroxy-6-methoxyquinoline-3-carboxylic acid ethyl ester

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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:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	272.94507
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	272.94507
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8