AG003FYX

3117-03-1 | 2,5-Dimethoxybenzo-1,4-quinone

AG003FYX

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CAS Number	3117-03-1
Catalog Number	AG003FYX(AGN-PC-0JLCSD)
Chemical Name	2,5-Dimethoxybenzo-1,4-quinone
IUPAC Name	2,5-dimethoxycyclohexa-2,5-diene-1,4-dione
InChI	InChI=1S/C8H8O4/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3
InChI Key	RMMPZDDLWLALLJ-UHFFFAOYSA-N
MDL Number	MFCD00189386
Molecular Formula	C8H8O4
Molecular Weight	168.1467
NSC Number	509720
SMILES	COC=1C(C=C(C(C1)=O)OC)=O
UNII	XJL7OE03FS
Synonyms	2,5-dimethoxy-1,4-benzoquinone, 2,5-dimethoxy-4-benzoquinone, 2,5-Dimethoxy-1,4-benzoquinone, 3117-03-1, 2,5-Dimethoxybenzoquinone, Thermophillin, 2,5-dimethoxybenzo-1,4-quinone, 2,5-dimethoxycyclohexa-2,5-diene-1,4-dione, UNII-XJL7OE03FS, XJL7OE03FS, 2,5-Dimethoxy-p-benzoquinone, 2,5-Dimethoxy-4-benzoquinone, 2,5-dimethoxy-[1,4]benzoquinone, 2,5-DIMETHOXY-(1,4)BENZOQUINONE, Tetraethyl-Thioperoxydicarbonic diamide (((H2N)C(S))2S2), Tetraethyl-Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), Thermophyllin, AC1L2QRM, AC1Q6BUR, Artu Brand of Disulfiram, Bohm Brand of Disulfiram, 2,5-Dimethoxy-p-quinone, Dumex Brand of Disulfiram, ACMC-1BN8A, Orphan Brand of Disulfiram, tetraethyl-thiuram disulfide, Allphar Brand of Disulfiram, Disulfide, Tetraethylthiuram, Odyssey Brand of Disulfiram, p-Benzoquinone,5-dimethoxy-, SCHEMBL49737, CHEMBL465063, Disulfiram (JP15/USP/INN), 2,4-dione, 2,5-dimethoxy-, CTK4G6498, DTXSID30185096, Altana Pharma Brand of Disulfiram, RMMPZDDLWLALLJ-UHFFFAOYSA-N, ZINC1603364, ANW-13804, CD-831, FCH917822, MFCD00189386, NSC509720, Sanofi Synthelabo Brand of Disulfiram, AKOS006230590, Tetraethyl-Thioperoxydicarbonic diamide, MCULE-8597313327, NSC 509720, NSC-509720, 2,5-Dimethoxy-1,4-benzoquinone;98%, p-Benzoquinone, 2,5-dimethoxy- (8CI), AS-10334, CC-07798, 1,1'-Dithiobis(N,N-diethylthio-Formamide, 1,1'-Dithiobis(N,N-diethylthio)-Formamide, AI3-31839, TR-013273, D2250, FT-0699572, 2,5-Cyclohexadiene-1,4-dione,2,5-dimethoxy-, 117D031, C-28489, 2,5-Cyclohexadiene-1,4-dione, 2,5-dimethoxy- (9CI), diethylcarbamothioylsulfanyl diethylaminomethanedithioate, Tetraethyl-Thioperoxydicarbonic diamide ((H2N)C(S))2S2, disulfiram, Ethyldithiurame, Abstenisil, Alcophobin, Antiaethan, Antietanol, Antiethanol, Antivitium, Disulfamide, Disulfirame, Disulfiramo, Disulfiramum, Disulfuram, Disulphuram, Stopaethyl, Thioscabin, Thireranide, Thiuranide, Abstensil, Abstinil, Abstinyl, Antabuse, Antaenyl, Antaethan, Antaethyl, Antaetil, Antalcol, Antethyl, Anthethyl, Antietil, Contralin, Contrapot, Cronetal, Dicupral, Disulfan, Disulfirm, Ephorran, Exhorran, Krotenal, Nocceler, Stopethyl, Stopetyl, Tetradin, Tetradine, Tetraetil, Teturamin, Antabus, Antadix, Antetan, Antetil, Anticol, Antikol, Aversan, Averzan, Bonibal, Disetil, Espenal, Esperal, Exhoran, Refusal, Stopety, Tenurid, Tenutex, Tetidis, Teturam, Thiosan, Tillram, Anteyl, Etabus, Nocbin, Tiuram, Ethyldithiourame, Noxal, Hoca, Ethyl tuads, Ro-sulfiram, Anti-ethyl, Ethyl Thiudad, Ethyl Thiurad, Ethyl Thiram, Tetraethylthiuram, Antab use, Alk-aubs, Ethyl Tuex, Eta bus, Thiuram E, Tuads, ethyl, Nocceler TET, Sanceler TET, tet raethylthiuram, Soxinol TET, Ekagom DTET, Ekagom TEDS, Accel TET, Ekagom TETDS, Nocceler TET-G, Robac TET, Sanceler TET-G, 2,4-benzoquinone, Antabuse (TN), Antivitium (Spain), Accel TET-R, TATD, TETD, THIOCID, Disulfirame [DCIT], Noxal (VAN), Abstensyl (Argentina), Refusal [Netherlands], Tetraethylthiuram sulfide, Dupont fungicide 4472, Tetraethylthiram disulfide, TTS [Alcohol deterrent], Tetraethylthiram disulphide, Tetraethylthiuram disulfide, Tetraethylthiuran disulfide, Tetraethylthiuram disulphide, Tetraethylthiurium disulfide, CHLOROACETYL CHLORIDE, Ro-Sulfram-500 (USA), Disulfiram [INN:BAN:JAN], Bis(diethylthiocarbamoyl)disulphide, Bis(diethylthiocarbamyl) disulfide, Bis(diethylthiocarbamoyl) disulfide, bis-(diethylthiocarbamoyl)disulfide, ACETIC ACID, PHENOXYPHENYL-, Disulfide, bis(diethylthiocarbamoyl), AR-1D4387, CID101405, Tetraethylthioperoxydicarbonic diamide, Bis(N,N-diethylthiocarbamoyl)disulphide, N,N,N',N'-Tetraethylthiuram disulfide, bis((diethylamino)thioxomethyl)disulfide, Bis(N,N-diethylthiocarbamoyl) disulfide, N,N,N',N'-Tetraethylthiuram disulphide, Bis((diethylamino)thioxomethyl) disulfide, Bis((diethylamino)thioxomethyl)disulphide, Bis[(diethylamino)thioxomethyl] disulfide, Tetraethylthioperoxydicarbonothioic Diamide, 1,1'-Dithiobis(N,N-diethylthioformamide), 1,1'-Dithiobis[N,N-diethylthioformamide], DISULFIRAM (TETRAETHYLTHIURAM DISULFIDE), Tetraethylthioperoxydicarbonic Diamide, ((H2N)C(S))2S2, 1,1',1'',1'''-[dithiobis(carbonothioylnitrilo)]tetraethane, 3302-06-5, TTD, TTS,

Complexity	255
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.042g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	168.148g/mol
Monoisotopic Mass	168.042g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number