1,7-Dichloroisoquinoline - CAS 70810-24-1

Catalog:	BB034240
Product Name:	1,7-Dichloroisoquinoline
CAS:	70810-24-1
Synonyms:	1,7-dichloroisoquinoline; 1,7-dichloroisoquinoline

Technical Data

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Computed Properties

IUPAC Name:	1,7-dichloroisoquinoline
Description:	1,7-Dichloroisoquinoline (CAS# 70810-24-1) is used in preparation of 1H-1,2,3-Triazole-5-carboxylic Acid derivatives as Glycolate Oxidase inhibitors for treatment of Hyperoxaluria and related diseases.
Molecular Weight:	198.05
Molecular Formula:	C9H5Cl2N
Canonical SMILES:	C1=CC(=CC2=C1C=CN=C2Cl)Cl
InChI:	InChI=1S/C9H5Cl2N/c10-7-2-1-6-3-4-12-9(11)8(6)5-7/h1-5H
InChI Key:	NRBSVPXPMBQUGX-UHFFFAOYSA-N
Boiling Point:	316 °C at 760 mmHg
Density:	1.407 g/cm³
LogP:	3.54160

Publication Number	Title	Priority Date
US-2021171474-A1	Glycolate oxidase inhibitors for the treatment of disease	20171229
AU-2017388300-A1	Isoquinoline compounds, methods for their preparation, and therapeutic uses thereof in conditions associated with the alteration of the activity of beta galactosidase	20161228
BR-112019013593-A2	ISOQUINOLINE COMPOUNDS, METHODS FOR THEIR PREPARATION, AND THERAPEUTIC USES OF THE SAME IN AFFECTIONS ASSOCIATED WITH CHANGING THE ACTIVITY OF BETA GALACTOSIDASE	20161228
CA-3047700-A1	Isoquinoline compounds, methods for their preparation, and therapeutic uses thereof in conditions associated with the alteration of the activity of beta galactosidase	20161228
CN-110494432-A	Isoquinoline compound, preparation method and its is changing the therapeutical uses in relevant illness to betagalactosidase activity	20161228

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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:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.9799046
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	196.9799046
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7