AG00ILMM

6385-62-2 | 1,1'-Ethylene-2,2'-dipyridylium dibromide monohydrate

AG00ILMM

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CAS Number	6385-62-2
Catalog Number	AG00ILMM(AGN-PC-0TAAZ1)
Chemical Name	1,1'-Ethylene-2,2'-dipyridylium dibromide monohydrate
IUPAC Name	7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;dibromide;hydrate
InChI	InChI=1S/C12H12N2.2BrH.H2O/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;;;/h1-8H,9-10H2;2*1H;1H2/q+2;;;/p-2
InChI Key	KLJOSQAQZMLLMB-UHFFFAOYSA-L
MDL Number	MFCD00211319
Molecular Formula	C12H14Br2N2O
Molecular Weight	362.0604
SMILES	[H]O[H].[N+]1(CC[N+]3=CC=CC=C23)=C2C=CC=C1.[Br-].[Br-]
UN Number	2781
UNII	KU81Z1B8QW
Synonyms	Dibromide, Diquat, Diquat, Diquat Dibromide, Diquat dibromide monohydrate, 6385-62-2, UNII-KU81Z1B8QW, KU81Z1B8QW, 6,7-dihydrodipyrido[1,2-a:2',1'-c]pyrazinediium dibromide hydrate, 6,7-dihydro-dipyrido(1,2-1:2',1'-c)pyrazinedium dibromide monohydrate, DIQUAT, Dipyrido(1,2-1:2',1'-c)pyrazinedium, 6,7-dihydro-, dibromide, monohydrate, CCRIS 8141, Diquat dibromide hydrate, AC1L3GUE, AC1Q1R5T, DSSTox_CID_11248, DSSTox_RID_78868, DSSTox_GSID_31248, CHEMBL3186290, DTXSID7031248, ZX-AT016085, Tox21_301145, MFCD00211319, NCGC00248381-01, NCGC00255043-01, CAS-6385-62-2, LS-182897, FT-0667712, Diquat dibromide monohydrate, analytical standard, Diquat dibromide monohydrate, PESTANAL(R), analytical standard, 6,7-dihydrodipyrido[1,2-a:2',1'-c]pyrazine-5,8-diium bromide hydrate, 7$l^{5},10$l^{5}-diazatricyclo[8.4.0.0^{2,7}]tetradeca-1(10),2(7),3,5,11,13-hexaene-7,10-bis(ylium) hydrate dibromide, 7??,10??-diazatricyclo[8.4.0.0?,?]tetradeca-1(14),2,4,6,10,12-hexaene-7,10-bis(ylium) hydrate dibromide, Deiquat monohydrate, DIQUATDIBROMIDEMONOHYDRATE, C12H12N2.2Br.H2O, AR-1H0363, CID115268, C12-H12-N2.2Br.H2-O, Dipyrido[1,2-a:2',1'-c]pyrazinediium, 6,7-dihydro-, dibromide, monohydrate, 64955-59-5,

Complexity	183
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	361.945g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	362.065g/mol
Monoisotopic Mass	359.947g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	8.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H301+H311-H315-H317-H319-H330-H335-H372-H410
Packing Group	\N
Precautionary statements	P260-P280-P302+P352+P312-P304+P340+P310-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number