Paraquat-dimethylsulfate

1,1′-Dimethyl-4,4′-bipyridinium bis(methyl sulfate)
1,1′-Dimethyl-4,4′-bipyridinium dimethosulfate
1,1′-Dimethyl-4,4′-bipyridinium methyl sulfate (1:2)
1,1′-Dimethyl-4,4′-bipyridylium dimethylsulfate
1,1′-Dimethyl-4,4′-dipyridinium di(methyl sulfate)
1,1′-Dimethyl-4,4′-dipyridinium dimethosulfate
4,4′-Bipyridinium, 1,1′-dimethyl-, bis(methyl sulfate)
4,4′-Bipyridinium, 1,1′-dimethyl-, methyl sulfate (1:2)
Gramoxone methyl sulfate
N,N′-Dimethyl-4,4′-bipyridinium methosulfate
Paraquat bis(methyl sulfate)
Paraquat dimethosulfate
Paraquat dimethyl sulphate
Paraquat I
Paraquat methosulfate
Paraquat methyl sulfate

Property	Value
InChI2D key string chemrof:inchi2d_key_string	UBXNVIKIDJFZPV-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string	InChI=1S/C12H14N2.CH4O4S/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;1-5-6(2,3)4/h3-10H,1-2H3;1H3,(H,2,3,4)/q+2;/p-1
IUPAC name chemrof:IUPAC_name	1-methyl-4-(1-methyl-4-pyridin-1-iumyl)pyridin-1-ium;methyl sulfate, 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;methyl sulfate
Molecular formula chemrof:molecular_formula	C13H17N2O4S+
Molecular mass chemrof:molecular_mass	297.356
Monoisotopic mass chemrof:monoisotopic_mass	297.090354
SMILES string chemrof:smiles_string	C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C.COS(=O)(=O)[O-]

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=2074-50-2	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/23623872	enrich_references.pubchem_compound

Flow	Context	Source	Unit	CFs
320ac8aa-a19a-46fb-934e-65aad30c65ed	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
0f30565d-ce63-42df-b3ec-272bc5f3907b	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
be3addcb-fa11-4d41-9cc9-12334379670d	Environmental → Air → Indoor	EF 3.1	kg	2
fd4ea32f-8ef9-4da9-beae-9b44c2bad986	Environmental → Air → Long-term	EF 3.1	kg	0
2d66be36-53d8-4f11-9454-8e073f2c236a	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
857e49a2-6d80-4324-a44e-d05adc64da75	Environmental → Air → Unknown	EF 3.1	kg	2
1c334f89-bd3b-40d2-a7f6-a2e997758ce1	Environmental → Ground → Agricultural	EF 3.1	kg	2
e13a0983-0777-4308-ba8f-5007373c3de1	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
8e1041ec-7e6a-4323-b749-e9bfa420f577	Environmental → Ground → Unknown	EF 3.1	kg	2
b860d1d6-4c51-4f71-8dc1-8be84b668a0b	Environmental → Water → Long-term	EF 3.1	kg	0
4ca14fb1-2f46-489e-9fa7-cd6f5d88fb82	Environmental → Water → Ocean	EF 3.1	kg	2
b7c47a49-7230-473d-aca8-a928c56f1235	Environmental → Water → Surface water	EF 3.1	kg	2
dcb18c33-469c-496a-95d3-47a0d531cbdf	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

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    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "218-196-3"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=218-196-3"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/ChemicalSalt"
  ]
}

You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

Paraquat-dimethylsulfate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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