Paraquat

C₁₂H₁₄Cl₂N₂CAS 1910-42-5257.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₄Cl₂N₂
Molar mass: 257.16 g/mol
Exact mass: 256.0534 Da
Density: 1.25 g/mL
Melting point: 175–180 °C
Water solubility: miscible
logP: -4.99Crippen estimate
Polar surface area: 7.8 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowedAcute toxicity, oral
H311 Toxic in contact with skinAcute toxicity, dermal
H315 Causes skin irritationSkin corrosion/irritation
H319 Causes serious eye irritationSerious eye damage/eye irritation
H330 Fatal if inhaledAcute toxicity, inhalation
H335 May cause respiratory irritationSpecific target organ toxicity, single exposure; Respiratory tract irritation
H372 ** Causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 613-090-00-7[1]), via PubChem.

Precautionary statements

P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

1910-42-5

SMILES

C[n+]1ccc(-c2cc[n+](C)cc2)cc1.[Cl-].[Cl-]

InChIKey

FIKAKWIAUPDISJ-UHFFFAOYSA-L

InChI

InChI=1S/C12H14N2.2ClH/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;;/h3-10H,1-2H3;2*1H/q+2;;/p-2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

29 names · show all

4,4′-Bipyridinium, 1,1′-dimethyl-, chloride (1:2)
4,4′-Bipyridinium, 1,1′-dimethyl-, dichloride
1,1′-Dimethyl-4,4′-bipyridinium dichloride
N,N′-Dimethyl-4,4′-bipyridinium dichloride
N,N′-Dimethyl-4,4′-dipyridylium dichloride
1,1′-Dimethyl-4,4′-dipyridylium dichloride
Paraquat dichloride
Methyl viologen
Gramoxone W
Gramoxone dichloride
1,1′-Dimethyl-4,4′-dipyridinium dichloride
Methyl viologen dichloride
Gramixel
Gramoxone S
Gramoxone
OK 622
Dimethyl viologen chloride
Gramoxone D
AH 501
Methylviologen chloride
Paragreen A
Cekuquat
Galokson
Gramoxone max
Cyclone max
Gramoxone inteon
AH 501 (herbicide)
Nuquat
Tocha

Work with Paraquat

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1,1′-Dimethyl-4,4′-bipyridinium methyl sulfate (1:2)2074-50-2Salt

Similar compounds

1-Methylpyridinium chloride7680-73-152 % similar 1,1′-Dibenzyl-4,4′-bipyridinium dichloride1102-19-838 % similar 1,3-Dimethylimidazolium chloride79917-88-736 % similar 1-Benzyl-3-methylimidazolium chloride36443-80-834 % similar 1-Ethyl-3-methylimidazolium chloride65039-09-032 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

[1,1′-Biphenyl]-4,4′-diamine hydrochloride (1:2)531-85-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia