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Diquat dibromide monohydrate

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Name

Diquat dibromide monohydrate

EINECS 201-434-5
CAS No. 6385-62-2 Density N/A
PSA 16.99000 LogP -5.11410
Solubility N/A Melting Point <3200(dec)
Formula C12H12Br2N2.H2O Boiling Point N/A
Molecular Weight 362.06 Flash Point N/A
Transport Information UN 2811 Appearance Pale Yellow Crystalline Solid
Safety 36/37-45 Risk Codes 21-25
Molecular Structure Molecular Structure of 6385-62-2 (Diquat dibromide monohydrate) Hazard Symbols ToxicT
Synonyms

Dipyrido[1,2-a:2',1'-c]pyrazinediium,6,7-dihydro-, dibromide, monohydrate (8CI,9CI);1,1'-Ethylene-2,2'-dipyridyliumdibromide monohydrate;Diquat dibromide monohydrate;

 

Diquat dibromide monohydrate Specification

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

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