2,6-dichlorobenzoic Acid

Benzoic acid, 2,6-dichloro-

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	MRUDNSFOFOQZDA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C7H4Cl2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)
IUPAC name chemrof:IUPAC_name	2,6-dichlorobenzoic Acid
Molecular formula chemrof:molecular_formula	C7H4Cl2O2
Molecular mass chemrof:molecular_mass	191.013
Monoisotopic mass chemrof:monoisotopic_mass	189.95883, 189.958835
SMILES string chemrof:smiles_string	O=C(O)c1c(Cl)cccc1Cl

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=50-30-6	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:48623	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.000.024	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID0024979	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=76599	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL114828	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/634RI764QT	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J55.461H	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=57068	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/5758	enrich_references.pubchem_compound
PubMed	https://pubmed.ncbi.nlm.nih.gov/17240021	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/18970297	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/22922990	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/24302680	enrich_references.chebi_xrefs
reaxys	reaxys:973858	enrich_references.chebi_xrefs
Wikidata	https://www.wikidata.org/wiki/Q27121293	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
9e2b81d1-d361-4411-88a1-fc34b9170319	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
68cd4230-8661-41b0-a0d1-e8f8abc8b46f	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
17b96932-396b-4254-9521-a78f1f7344cd	Environmental → Air → Indoor	EF 3.1	kg	2
60c28e28-785e-4501-9c9c-99a42f8ca16a	Environmental → Air → Long-term	EF 3.1	kg	0
e32a5072-782f-4ffb-b019-f26d20bd9fff	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
6b7454ad-6bb1-4480-9dd2-52e8c2601fa1	Environmental → Air → Unknown	EF 3.1	kg	2
9e404e5b-19c2-46db-93d3-aa48f7baeb23	Environmental → Ground → Agricultural	EF 3.1	kg	2
f1e3ba78-abf5-4ebb-9554-787b25c4134e	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
6cce88df-261a-4fb8-9d9c-2550a03b0b29	Environmental → Ground → Unknown	EF 3.1	kg	2
537ec91f-6b00-4385-800e-be16309b2f64	Environmental → Water → Long-term	EF 3.1	kg	0
f6fe5672-5edd-4593-9236-05f5d6daa13f	Environmental → Water → Ocean	EF 3.1	kg	2
d29987b5-86e4-4fd9-b0ff-b985a0ead659	Environmental → Water → Surface water	EF 3.1	kg	2
7909cd89-6b35-4560-9b86-cc4b90e3ce04	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (56 changes)

Open the changes page

Flow object JSON

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  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "http://www.w3.org/2004/02/skos/core#definition": [
    {
      "@value": "A chlorobenzoic acid carrying two chloro groups at positions 2 and 6 respectively.",
      "@language": "en",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_definition",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_48623"
        ],
        "prov:wasDerivedFrom": "chebi.definition"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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

2,6-dichlorobenzoic Acid

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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