2-Quinoxalinecarbonitrile - CAS 7483-33-2

Catalog:	BB035169
Product Name:	2-Quinoxalinecarbonitrile
CAS:	7483-33-2
Synonyms:	2-quinoxalinecarbonitrile; quinoxaline-2-carbonitrile

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Computed Properties

IUPAC Name:	quinoxaline-2-carbonitrile
Description:	2-Quinoxalinecarbonitrile (CAS# 7483-33-2) is a useful research chemical.
Molecular Weight:	155.16
Molecular Formula:	C9H5N3
Canonical SMILES:	C1=CC=C2C(=C1)N=CC(=N2)C#N
InChI:	InChI=1S/C9H5N3/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,6H
InChI Key:	IVYZWJPQNNZOHV-UHFFFAOYSA-N
Boiling Point:	329.7 °C at 760 mmHg
Density:	1.29 g/cm³
MDL:	MFCD12403337
LogP:	1.50148

Publication Number	Title	Priority Date
CN-113200929-A	Cyanoquinoxaline red-light thermal excitation delayed fluorescent material, and synthesis method and application thereof	20210401
CN-110256342-A	A kind of synthetic method of 2- cyano-quinoline derivatives	20190716
WO-2020040298-A1	Organic electroluminescent element, display device, illumination device, luminescent layer forming composition, and compound	20180823
WO-2019133633-A1	Composition including multiple terminally functionalized polymers	20171230
EP-3732210-A1	Composition including multiple terminally functionalized polymers	20171230

PMID	Publication Date	Title	Journal
21724395	20110801	New salicylamide and sulfonamide derivatives of quinoxaline 1,4-di-N-oxide with antileishmanial and antimalarial activities	Bioorganic & medicinal chemistry letters
22084710	20110101	Novel Phenazine 5,10-Dioxides Release OH in Simulated Hypoxia and Induce Reduction of Tumour Volume In Vivo	ISRN pharmacology
21588729	20100825	Quinoline-2-carbonitrile	Acta crystallographica. Section E, Structure reports online
21580135	20091204	Quinoxaline-2-carbonitrile	Acta crystallographica. Section E, Structure reports online
19162490	20090215	Cytotoxic palladium complexes of bioreductive quinoxaline N1,N4-dioxide prodrugs	Bioorganic & medicinal chemistry

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Related Functional Groups

Quinoxalines

[7065-23-8]
Ethyl 2-quinoxalinecarboxylate
[15804-19-0]
2,3-Dihydroxyquinoxaline
[82031-32-1]
7-Bromoquinoxalin-2(1H)-one
[70038-75-4]
9-Methyl-6H-indolo[2,3-b]quinoxaline
[2756334-24-2]
7-Bromo-8-fluoro-3-methyl-3,4-dihydroquinoxalin-2(1H)-one
[2756334-26-4]
7-Bromo-8-fluoro-3-methylquinoxalin-2(1H)-one

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	155.048347172
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	155.048347172
Rotatable Bond Count:	0
Topological Polar Surface Area:	49.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3