5,8-Difluoro-4-hydroxyquinoline - CAS 874781-10-9

Catalog:	BB038476
Product Name:	5,8-Difluoro-4-hydroxyquinoline
CAS:	874781-10-9
Synonyms:	5,8-difluoro-1H-quinolin-4-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5,8-difluoro-1H-quinolin-4-one
Description:	5,8-Difluoro-4-hydroxyquinoline (CAS# 874781-10-9) is a useful research chemical.
Molecular Weight:	181.14
Molecular Formula:	C9H5F2NO
Canonical SMILES:	C1=CC(=C2C(=C1F)C(=O)C=CN2)F
InChI:	InChI=1S/C9H5F2NO/c10-5-1-2-6(11)9-8(5)7(13)3-4-12-9/h1-4H,(H,12,13)
InChI Key:	YQQXQAYFERRWTG-UHFFFAOYSA-N
Boiling Point:	319.1 °C at 760 mmHg
Density:	1.465 g/cm³
LogP:	2.21860

Publication Number	Title	Priority Date
AU-2014352008-A1	Tricyclic piperidine compounds	20131119
AU-2014352008-B2	Tricyclic piperidine compounds	20131119
CA-2926600-A1	Tricyclic piperidine compounds	20131119
EA-029391-B1	Tricyclic piperidine compounds	20131119
EP-3071578-A1	Tricyclic piperidine compounds	20131119

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Quinoline/Isoquinoline

[1936054-65-7]
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[892874-65-6]
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[1535306-28-5]
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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:	254
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	181.03392011
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	181.03392011
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8