4-Chloro-6,8-difluoroquinoline - CAS 239463-89-9

Catalog:	BB018257
Product Name:	4-Chloro-6,8-difluoroquinoline
CAS:	239463-89-9
Synonyms:	4-chloro-6,8-difluoroquinoline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-chloro-6,8-difluoroquinoline
Description:	4-Chloro-6,8-difluoroquinoline (CAS# 239463-89-9) is a useful research chemical.
Molecular Weight:	199.58
Molecular Formula:	C9H4ClF2N
Canonical SMILES:	C1=CN=C2C(=CC(=CC2=C1Cl)F)F
InChI:	InChI=1S/C9H4ClF2N/c10-7-1-2-13-9-6(7)3-5(11)4-8(9)12/h1-4H
InChI Key:	NBYDBLFWTPXYFH-UHFFFAOYSA-N
Boiling Point:	256.9 °C at 760 mmHg
Purity:	95 %
Density:	1.455 g/cm³
Appearance:	Solid
LogP:	3.16640

Publication Number	Title	Priority Date
US-2020352931-A1	Oxalamides as modulators of indoleamine 2,3-dioxygenase	20171212
US-2020095231-A1	Inhibitors of indoleamine 2,3-dioxygenase and methods of their use	20170512
WO-2018209049-A1	Inhibitors of indoleamine 2,3-dioxygenase and methods of their use	20170512
US-11066392-B2	Inhibitors of indoleamine 2,3-dioxygenase and methods of their use	20170512
AU-2017377852-A1	Pyrimidine tricyclic enone derivatives for inhibition of RORgamma and other uses	20161216

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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:	191
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.0000331
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	199.0000331
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3