Dipyrido[1,2-a:2',1'-c]pyrazinium,6,7-dihydro-, bromide, hydrate (1:2:1) (6385-62-2)

The Diquat dibromide monohydrate with the CAS number 6385-62-2 is also called Dipyrido[1,2-a:2',1'-c]pyrazinium,6,7-dihydro-, bromide, hydrate (1:2:1). The systematic name is 6,7-dihydrodipyrido[1,2-a:2',1'-c]pyrazinediium bromide hydrate (1:2:1). Its molecular formula is C₁₂H₁₂Br₂N₂^.H₂O. This chemical belongs to the following product categories: (1)Agro-Products; (2)Heterocycles; (3)DIO - DIZEPA; (4)Method 549Pesticides&Metabolites; (5)500 Series Drinking Water Methods; (6)Alpha sort; (7)D; (8)DAlphabetic; (9)Herbicides; (10)Pesticides&Metabolites; (11)Quaternary amonium salts.

The properties of the chemical are: (1)ACD/LogP: -4.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.71; (4)ACD/LogD (pH 7.4): -4.71; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 7.76 Å².

While using this chemical, you should be very cautious. This chemical is Toxic if swallowed. It is harmful in contact with skin. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing and gloves. Then in In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible).

You can still convert the following datas into molecular structure:
(1)SMILES: [Br-].[Br-].O.c2cccc3c1[n+](cccc1)CC[n+]23
(2)InChI: InChI=1/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
(3)InChIKey: KLJOSQAQZMLLMB-NUQVWONBAL