2-Chloro-6-ethoxyquinoline-3-carbonitrile - CAS 937672-26-9

Catalog:	BB041072
Product Name:	2-Chloro-6-ethoxyquinoline-3-carbonitrile
CAS:	937672-26-9
Synonyms:	2-chloro-6-ethoxyquinoline-3-carbonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-chloro-6-ethoxyquinoline-3-carbonitrile
Description:	2-Chloro-6-ethoxyquinoline-3-carbonitrile (CAS# 937672-26-9) is a useful research chemical.
Molecular Weight:	232.67
Molecular Formula:	C12H9ClN2O
Canonical SMILES:	CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)Cl
InChI:	InChI=1S/C12H9ClN2O/c1-2-16-10-3-4-11-8(6-10)5-9(7-14)12(13)15-11/h3-6H,2H2,1H3
InChI Key:	DLSJCLCHOALFAO-UHFFFAOYSA-N
Boiling Point:	404.764 °C at 760 mmHg
Density:	1.315 g/cm³
LogP:	3.15858

Publication Number	Title	Priority Date
AU-2006292256-A1	Methods and compositions for stimulating neurogenesis and inhibiting neuronal degeneration	20050919
AU-2006292256-B2	Methods and compositions for stimulating neurogenesis and inhibiting neuronal degeneration	20050919
AU-2013211455-A1	Methods and compositions for stimulating neurogenesis and inhibiting neuronal degeneration	20050919
CA-2623507-C	Methods and compositions for stimulating neurogenesis and inhibiting neuronal degeneration	20050919
CA-2800945-A1	Methods and compositions for stimulating neurogenesis and inhibiting neuronal degeneration	20050919

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Related Functional Groups

Quinoline/Isoquinoline

[1936054-65-7]
2,4-Dichloro-3,6-dimethylquinoline
[203506-30-3]
2-Amino-6-methoxy-3-methylquinoline
[938459-19-9]
2-Chloro-4-methyl-7-(methylthio)quinoline
[361982-79-8]
2-Chloro-4-methyl-7,8-dihydro-6H-cyclopenta[g]quinoline
[91092-92-1]
3-Carbomethoxy-1,2,3,4-tetrahydroisoquinoline-1,4-dione
[892874-65-6]
2,7-Dimethylquinoline-3-carboxylic acid ethyl ester

GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	288
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	232.0403406
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	232.0403406
Rotatable Bond Count:	2
Topological Polar Surface Area:	45.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2