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6385-62-2

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