Consensus flow list

Identity

Type
Chemical salt
CAS
2074-50-2
EC
218-196-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Paraquat-dimethylsulfate

Alternative labels

16

Properties

PropertyValue
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-]

Known URLs

2

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

Elementary flows

13
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

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-0399baa0b05996fd",
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  "@type": [
    "https://w3id.org/chemrof/ChemicalSalt"
  ]
}

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