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Paraquat

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Paraquat / CAS : 4685-14-7

Appearance Off-white powder UN 2781
HS 29333990 DG Class 6.1(a)
Synonyms 1,1'-Dimethyl-4,4'-Bipyridinium; Paraquat ion; Dimethyl Viologen; Paraquat Dication
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Properties

Summary

Formula
C12H14N2+2
Molecular Mass
186.25300
Exact Mass
186.11600
PSA
7.76000
Logp
1.00260
IUPAC
1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium
SMILES
COMPOUND SUMMARY Paraquat PubChem CID 15939 Structure Paraquat_small.png Paraquat_3D_Structure.png Find Similar Structures Chemical Safety Corrosive Acute Toxic Irritant Health Hazard Environmental Hazard Laboratory Chemical Safety Summary (LCSS) Datasheet Molecular Formula C12H14N2+2 Synonyms PARAQUAT 4685-14-7 1,1'-Dimethyl-4,4'-bipyridinium Paraquat ion Dimethyl viologen More... Molecular Weight 186.25 Dates Modify 2021-11-27 Create 2005-03-27 Paraquat is an organic cation that consists of 4,4'-bipyridine bearing two N-methyl substituents loctated at the 1- and 1'-positions. It has a role as a herbicide and a geroprotector. It derives from a hydride of a 4,4'-bipyridine. ChEBI A poisonous dipyridilium compound used as contact herbicide. Contact with concentrated solutions causes irritation of the skin, cracking and shedding of the nails, and delayed healing of cuts and wounds. Medical Subject Headings (MeSH) 1Structures HelpNew Window 1.12D Structure HelpNew Window Find Similar Structures Get Image Download Chemical Structure Depiction Paraquat.png Full screen Zoom in Zoom out PubChem 1.23D Conformer HelpNew Window ERROR We are sorry, your browser does not support WebGL, which is required to display this section. Please use a modern browser to improve your experience. PubChem 2Names and Identifiers HelpNew Window 2.1Computed Descriptors HelpNew Window 2.1.1IUPAC Name HelpNew Window 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium Computed by Lexichem TK 2.7.0 (PubChem release 2021.05.07) PubChem 2.1.2InChI HelpNew Window InChI=1S/C12H14N2/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h3-10H,1-2H3/q+2 Computed by InChI 1.0.6 (PubChem release 2021.05.07) PubChem 2.1.3InChI Key HelpNew Window INFDPOAKFNIJBF-UHFFFAOYSA-N Computed by InChI 1.0.6 (PubChem release 2021.05.07) PubChem 2.1.4Canonical SMILES HelpNew Window C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C

Attribute classification

Matter Classification
organic
Category
Agrochemicals > Pesticides
Agrochemicals > Herbicides

Chemical and Physical Properties

Melting Point
300 °C
Density
1.24-1.26 g/cm³
Boiling Point
310.75°C
Appearance
Off-white powder
Acidity and Basicity
neutral

Export information

HS Code
29333990
Export Rebate
10/13%
UN No.
2781
DG-Class
6.1(a)
Risk Code
26/27/28
Safety Label
T

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