Sodium Chloroacetate

Acetic acid, 2-chloro-, sodium salt (1:1)
Acetic acid, chloro-, sodium salt
Chloroacetic acid sodium salt
Monochloroacetic acid sodium salt
SMA (herbicide)
Sodium 2-chloroacetate
Sodium chloroethanoate
Sodium monochloroacetate
Sodium monochloroactetate
Sodium α-chloroacetate

Property	Value
InChI2D key string chemrof:inchi2d_key_string	ATACSYDDCNWCLV-UHFFFAOYSA-N, FDRCDNZGSXJAFP-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string	InChI=1S/C2H3ClO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1
IUPAC name chemrof:IUPAC_name	Sodium Chloroacetate
Molecular formula chemrof:molecular_formula	C2H2ClNaO2, C2H3ClNaO2
SMILES string chemrof:smiles_string	O=C([O-])CCl.[Na+]

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=3926-62-3	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/45051746	enrich_references.pubchem_compound

Flow	Context	Source	Unit	CFs
95780508-e580-4a55-b6c1-aabf7621628d	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
92ec5cd4-9bf2-462a-80f0-cffd71cc8da0	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
30156ff5-e5f0-4b27-8e1c-6038610bda41	Environmental → Air → Indoor	EF 3.1	kg	4
58eebe2d-04d1-4782-98e8-ae2b0f81108f	Environmental → Air → Long-term	EF 3.1	kg	0
2ee24cea-4dc0-4237-85da-e2b6ddc483fc	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
2f4e01fb-4f5a-48e3-894e-65e3999cbf5f	Environmental → Air → Unknown	EF 3.1	kg	4
8f899d47-9bba-433e-b907-03f7d5c12f89	Environmental → Ground → Agricultural	EF 3.1	kg	4
9d577975-0ee3-4145-8df4-c11b7e36167b	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
221196cf7b54cbe417f3eee1fdc1bad2c8e3b895	Environmental → Ground → Silvicultural	ecoinvent algorithm addition	kg	0
e2f6aa66-4012-4790-adca-56108387b68c	Environmental → Ground → Unknown	EF 3.1	kg	4
3d3e1cb9-e761-44b6-8ab1-40c11a13b846	Environmental → Water → Long-term	EF 3.1	kg	0
f43a41d7-8f53-4d8e-b646-a44c197ec76c	Environmental → Water → Ocean	EF 3.1	kg	4
52a84c1e-f819-4417-a816-4f6d31644e0d	Environmental → Water → Surface water	EF 3.1	kg	4
9d49e22b-3cf2-4c00-b222-361e1555916d	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-548a9e5ab35453b0",
  "prefLabel": [
    {
      "@value": "Sodium Chloroacetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Acetic acid, 2-chloro-, sodium salt (1:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3926-62-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3926-62-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acetic acid, chloro-, sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3926-62-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3926-62-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Chloroacetic acid sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3926-62-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3926-62-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Monochloroacetic acid sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3926-62-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3926-62-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "SMA (herbicide)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3926-62-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3926-62-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium 2-chloroacetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3926-62-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3926-62-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium chloroethanoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3926-62-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3926-62-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium monochloroacetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3926-62-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3926-62-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium monochloroactetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3926-62-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3926-62-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium α-chloroacetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3926-62-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3926-62-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C2H2ClNaO2",
        "C2H3ClNaO2"
      ],
      "attested_by": {
        "C2H3ClNaO2": [
          "enrich_references.pubchem_semantic"
        ],
        "C2H2ClNaO2": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:45051746"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=C([O-])CCl.[Na+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "ATACSYDDCNWCLV-UHFFFAOYSA-N",
        "FDRCDNZGSXJAFP-UHFFFAOYSA-M"
      ],
      "attested_by": {
        "ATACSYDDCNWCLV-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic"
        ],
        "FDRCDNZGSXJAFP-UHFFFAOYSA-M": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:45051746"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=C([O-])CCl.[Na+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "O=C([O-])CCl.[Na+]"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Sodium Chloroacetate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=C([O-])CCl.[Na+]"
          ]
        }
      ],
      "attested_by": {
        "O=C([O-])CCl.[Na+]": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C2H3ClO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Sodium Chloroacetate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=C([O-])CCl.[Na+]"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C2H3ClO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Sodium Chloroacetate"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Sodium Chloroacetate"
        ]
      },
      "attested_by": {
        "Sodium Chloroacetate": [
          "opsin_iupac"
        ]
      }
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=3926-62-3",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:45051746;CAS:3926-62-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[3926-62-3]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/45051746",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:45051746;CAS:3926-62-3"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[3926-62-3]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "2ee24cea-4dc0-4237-85da-e2b6ddc483fc",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "multi_component_ionic",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/ChemicalSalt"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.multi_component_ionic"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "3926-62-3"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=3926-62-3"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=3926-62-3"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "223-498-3"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=223-498-3"
      ],
      "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"
  ]
}

Sodium Chloroacetate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Keyboard