6-Quinoxalinecarbonitrile - CAS 23088-24-6

Catalog:	BB017919
Product Name:	6-Quinoxalinecarbonitrile
CAS:	23088-24-6
Synonyms:	6-quinoxalinecarbonitrile; quinoxaline-6-carbonitrile

Technical Data

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Computed Properties

IUPAC Name:	quinoxaline-6-carbonitrile
Description:	6-Quinoxalinecarbonitrile (CAS# 23088-24-6) is a useful research chemical.
Molecular Weight:	155.16
Molecular Formula:	C9H5N3
Canonical SMILES:	C1=CC2=NC=CN=C2C=C1C#N
InChI:	InChI=1S/C9H5N3/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-5H
InChI Key:	IFIJAECRUMYOAH-UHFFFAOYSA-N
LogP:	1.50148

Publication Number	Title	Priority Date
WO-2018116072-A1	Heterocyclic compounds	20161220
EP-3183250-A1	Process for preparing crystalline organic semiconductor material	20140818
US-10224485-B2	Process for preparing a crystalline organic semiconductor material	20140818
US-10454037-B2	Organic semiconductor composition comprising a liquid medium	20140818
US-2017237005-A1	Process for preparing a crystalline organic semiconductor material	20140818

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Related Functional Groups

Quinoxalines

[1360599-43-4]
5-Bromo-8-methylquinoxaline
[3476-89-9]
1,2,3,4-Tetrahydroquinoxaline
[1215205-43-8]
6-(Trifluoromethoxy)quinoxaline
[7576-88-7]
6-Amino-2,3-dimethylquinoxaline
[55687-02-0]
6-Bromo-2-chloroquinoxaline
[5448-43-1]
6-Chloroquinoxaline

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P333+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1