2-Chloro-3-methylquinoxaline - CAS 32601-86-8

Catalog:	BB021340
Product Name:	2-Chloro-3-methylquinoxaline
CAS:	32601-86-8
Synonyms:	2-chloro-3-methylquinoxaline

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	2-chloro-3-methylquinoxaline
Description:	2-Chloro-3-methylquinoxaline (CAS# 32601-86-8) is a useful research chemical.
Molecular Weight:	178.62
Molecular Formula:	C9H7ClN2
Canonical SMILES:	CC1=NC2=CC=CC=C2N=C1Cl
InChI:	InChI=1S/C9H7ClN2/c1-6-9(10)12-8-5-3-2-4-7(8)11-6/h2-5H,1H3
InChI Key:	PXDLUYLWPJMGJA-UHFFFAOYSA-N
Boiling Point:	259.9 °C at 760 mmHg
Purity:	95 %
Density:	1.292 g/cm³
MDL:	MFCD00023913
LogP:	2.59160

Publication Number	Title	Priority Date
WO-2021120741-A1	Metal complex and application thereof	20191216
CN-107827828-A	Quinoxaline derivant of the skeleton containing phenylhydrazide and preparation method thereof and the application in antineoplastic is prepared	20171121
CN-108794538-A	Electroluminescent organic material and device	20170505
EP-3398953-A1	Organic electroluminescent materials and devices	20170505
JP-2018188422-A	Organic electroluminescent materials and devices	20170505

PMID	Publication Date	Title	Journal
18672315	20090301	Synthesis of some new 4-styryltetrazolo[1,5-a]quinoxaline and 1-substituted-4-styryl[1,2,4]triazolo[4,3-a]quinoxaline derivatives as potent anticonvulsants	European journal of medicinal chemistry

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Related Functional Groups

Halides

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[134005-20-2]
(Z)-1,3-Diiodo-2-butene
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole

Quinoxalines

[2379-56-8]
6-Nitro-2,3-dihydroxyquinoxaline
[15804-19-0]
2,3-Dihydroxyquinoxaline
[6925-00-4]
Quinoxaline-6-carboxylic acid
[1628908-19-9]
5-Bromo-7-fluoroquinoxaline
[1562581-18-3]
(2S,3S,4aR,8aR)-2,3-Bis[2-(diphenylphosphino)phenyl]-1,4-dimethyldecahydroquinoxaline
[3476-89-9]
1,2,3,4-Tetrahydroquinoxaline

GHS Hazard Statement:	H301 (84.44%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.0297759
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	178.0297759
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6