Consensus flow list

Identity

Type
Neutral molecule
CAS
99-63-8
EC
202-774-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Isophthaloyl Dichloride

Alternative labels

17

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FDQSRULYDNDXQB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H4Cl2O2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h1-4H
IUPAC name chemrof:IUPAC_name Isophthaloyl 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)c1cccc(C(=O)Cl)c1

Known URLs

10

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=30942-71-3 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=99-63-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.522 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3026641 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=41884 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1885739 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6A3LDJ6CL3 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.971I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7451 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27264395 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
a86a248d-5ccf-411e-a28d-5d3ff2a1a518 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
2f680c50-d559-441a-8bd3-98513b8c4cac Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
71424a34-517e-4bd5-ba85-d16f837a483b Environmental → Air → Indoor EF 3.1 kg 4
74516d5d-44ae-4462-827b-6e356226ac71 Environmental → Air → Long-term EF 3.1 kg 0
d2d2f0dc-eab8-4f3d-92a8-f8dffe3078f5 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
70711766-eb31-4a8b-9da4-99c55249b347 Environmental → Air → Unknown EF 3.1 kg 4
5a040ca6-9292-4db5-9094-94f7e6cf5b3a Environmental → Ground → Agricultural EF 3.1 kg 4
06764663-871c-467f-ba7e-c4598f0b6700 Environmental → Ground → Non-agricultural EF 3.1 kg 4
6c8e844a-d8de-4d03-ab12-6fd167e5be5b Environmental → Ground → Unknown EF 3.1 kg 4
f64b0abf-5c48-4cb1-a9eb-aa5307b4bfcf Environmental → Water → Long-term EF 3.1 kg 0
2c7e7b4f-fcac-4f92-a127-1b131e00ed3e Environmental → Water → Ocean EF 3.1 kg 4
3cdc54af-94ba-4dea-be47-c3f20b65c3e2 Environmental → Water → Surface water EF 3.1 kg 4
9720fd4f-68ff-4e77-95d3-5c15c4a21d65 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
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    {
      "@value": "Isothaloyl chloride",
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}

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