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6-Chloroquinoline-2,3-dicarboxylic acid diethyl ester

6-Chloroquinoline-2,3-dicarboxylic acid diethyl ester - CAS 92525-74-1

Catalog:	BB040556
Product Name:	6-Chloroquinoline-2,3-dicarboxylic acid diethyl ester
CAS:	92525-74-1
Synonyms:	diethyl 6-chloroquinoline-2,3-dicarboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	diethyl 6-chloroquinoline-2,3-dicarboxylate
Description:	6-Chloroquinoline-2,3-dicarboxylic acid diethyl ester (CAS# 92525-74-1) is a useful research chemical.
Molecular Weight:	307.73
Molecular Formula:	C15H14ClNO4
Canonical SMILES:	CCOC(=O)C1=C(N=C2C=CC(=CC2=C1)Cl)C(=O)OCC
InChI:	InChI=1S/C15H14ClNO4/c1-3-20-14(18)11-8-9-7-10(16)5-6-12(9)17-13(11)15(19)21-4-2/h5-8H,3-4H2,1-2H3
InChI Key:	ASFMPELSGBWGAT-UHFFFAOYSA-N
Boiling Point:	399.1 °C at 760 mmHg
Density:	1.295 g/cm³
LogP:	3.24160

Publication Number	Title	Priority Date
EP-0233150-A2	Process for the preparation of 2-(Imidazolin-2-yl)-pyridine and like quinoline-3-carboxylic acids	19860210
EP-0233150-B1	Process for the preparation of 2-(imidazolin-2-yl)-pyridine and like quinoline-3-carboxylic acids	19860210
JP-H0676404-B2	Process for producing 2- (imidazolin-2-yl) -3-pyridine- or-3-quinolinecarboxylic acid	19860210
US-4758667-A	Process for the preparation of 2-(imidazolin-2-yl)-3-pyridine- and -3-quinolinecarboxylic acids	19860210

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GHS Hazard Statement:	H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P264+P265, P280, P305+P354+P338, and P317
Signal Word:	Danger

Complexity:	390
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	307.0611356
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	307.0611356
Rotatable Bond Count:	6
Topological Polar Surface Area:	65.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6