4-Chloro-5,8-difluoroquinoline - CAS 874781-04-1

Catalog:	BB038473
Product Name:	4-Chloro-5,8-difluoroquinoline
CAS:	874781-04-1
Synonyms:	4-chloro-5,8-difluoroquinoline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-chloro-5,8-difluoroquinoline
Description:	4-Chloro-5,8-difluoroquinoline (CAS# 874781-04-1) is a useful research chemical.
Molecular Weight:	199.58
Molecular Formula:	C9H4ClF2N
Canonical SMILES:	C1=CC(=C2C(=C1F)C(=CC=N2)Cl)F
InChI:	InChI=1S/C9H4ClF2N/c10-5-3-4-13-9-7(12)2-1-6(11)8(5)9/h1-4H
InChI Key:	DZFRUXKPHJQFHH-UHFFFAOYSA-N
Boiling Point:	263.2 °C at 760 mmHg
Density:	1.455 g/cm³
MDL:	MFCD03407958
LogP:	3.16640

Publication Number	Title	Priority Date
BR-102017019447-A2	COMPOUND, A PHARMACEUTICALLY ACCEPTABLE SALT, ISOMER OR MIXTURE OF THE SAME, PHARMACEUTICAL COMPOSITION, METHOD FOR TREATMENT OF A DISEASE OR CONDITION, INHIBITION OF THE ACTIVITY OF A FOSPHTIDILINOS OR CRISPID EIBASE OR EXIFIED CRISIS OR EFFECTS CANCER CELLS, KIT, AND, USE OF A COMPOUND, A PHARMACEUTICALLY ACCEPTABLE SALT, ISOMER OR A MIXTURE OF THE SAME	20160923
TW-201813963-A	Phospholipid creatinine 3-kinase inhibitor	20160923
US-10227350-B2	Phosphatidylinositol 3-kinase inhibitors	20160923
US-2018086768-A1	Phosphatidylinositol 3-kinase inhibitors	20160923
WO-2018057810-A1	Benzimidazole derivatives and their use as phosphatidylinositol 3-kinase inhibitors	20160923

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Quinoline/Isoquinoline

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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