Terephthaloyl dichloride

1,4-Benzenedicarbonyl chloride
1,4-Benzenedicarbonyl dichloride
1,4-Bis(chlorocarbonyl)benzene
1,4-Di(chlorocarbonyl)benzene
Benzene 1,4-dicarboxylic acid dichloride
p-Phenylenedicarbonyl dichloride
p-Phthaloyl chloride
p-Phthaloyl dichloride
Terephthalic acid chloride
Terephthalic acid dichloride
Terephthalic dichloride
Terephthaloyl chloride
Terephthaloyldichloride

Property	Value
InChI2D key string chemrof:inchi2d_key_string	LXEJRKJRKIFVNY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C8H4Cl2O2/c9-7(11)5-1-2-6(4-3-5)8(10)12/h1-4H
IUPAC name chemrof:IUPAC_name	Terephthaloyl dichloride
Molecular formula chemrof:molecular_formula	C8H4Cl2O2
Molecular mass chemrof:molecular_mass	203.024
Monoisotopic mass chemrof:monoisotopic_mass	201.958835
SMILES string chemrof:smiles_string	O=C(Cl)c1ccc(C(=O)Cl)cc1

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=100-20-9	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.002.572	enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org	https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0331	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID7026653	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=41885	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1893301	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/G247CO9608	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.979D	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/7488	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q7702072	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/Terephthaloyl_chloride	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
e2fba104-6555-11dd-ad8b-0800200c9a66	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
08a91e70-3ddc-11dd-a024-0050c2490048	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
3f1d38e3-a7ac-49a7-a582-977ba7f36bc8	Environmental → Air → Indoor	EF 3.1	kg	2
08a91e70-3ddc-11dd-a023-0050c2490048	Environmental → Air → Long-term	EF 3.1	kg	0
08a91e70-3ddc-11dd-a025-0050c2490048	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
08a91e70-3ddc-11dd-a022-0050c2490048	Environmental → Air → Unknown	EF 3.1	kg	2
e2fba102-6555-11dd-ad8b-0800200c9a66	Environmental → Ground → Agricultural	EF 3.1	kg	2
e2fba105-6555-11dd-ad8b-0800200c9a66	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
e2fba108-6555-11dd-ad8b-0800200c9a66	Environmental → Ground → Unknown	EF 3.1	kg	2
e2fba10a-6555-11dd-ad8b-0800200c9a66	Environmental → Water → Long-term	EF 3.1	kg	0
e2fba106-6555-11dd-ad8b-0800200c9a66	Environmental → Water → Ocean	EF 3.1	kg	2
e2fba103-6555-11dd-ad8b-0800200c9a66	Environmental → Water → Surface water	EF 3.1	kg	2
e2fba109-6555-11dd-ad8b-0800200c9a66	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (58 changes)

Open the changes page

Flow object JSON

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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "100-20-9"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=100-20-9"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=100-20-9"
        }
      ],
      "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": [
        "202-829-5"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=202-829-5"
      ],
      "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/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

Terephthaloyl dichloride

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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