Consensus flow list

2,4-dichlorophenyl Benzenesulphonate

fo-16156ff6aa53cda1

Identity

Type
Neutral molecule
CAS
97-16-5
EC
202-562-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2,4-dichlorophenyl Benzenesulphonate

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string OZFAFGSSMRRTDW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H8Cl2O3S/c13-9-6-7-12(11(14)8-9)17-18(15,16)10-4-2-1-3-5-10/h1-8H
IUPAC name chemrof:IUPAC_name 2,4-dichlorophenyl Benzenesulphonate
Molecular formula chemrof:molecular_formula C12H8Cl2O3S
Molecular mass chemrof:molecular_mass 303.166
Monoisotopic mass chemrof:monoisotopic_mass 301.95712
SMILES string chemrof:smiles_string O=S(=O)(Oc1ccc(Cl)cc1Cl)c1ccccc1

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=97-16-5 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.331 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5020447 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=27323 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=38761 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184811 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2VO951CU06 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.944A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7327 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27255660 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
4df29474-8b02-49e5-bec0-93e754698961 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
05940416-fa32-4cf1-b688-07cc0b4af773 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
da15ef28-a9f7-412a-b270-3ef261545a2f Environmental → Air → Indoor EF 3.1 kg 0
626ddf31-9644-43e7-8d0e-0387693015ed Environmental → Air → Long-term EF 3.1 kg 0
f1f6574d-ff7d-41fc-bec1-7a979a019187 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
9f3df3f6-27c7-432b-b58d-6ed24a823b65 Environmental → Air → Unknown EF 3.1 kg 0
e43cee9a-4a92-4465-be53-fbce46859822 Environmental → Ground → Agricultural EF 3.1 kg 0
6ea6dd9f-fd42-4368-96f0-4ff9b6346842 Environmental → Ground → Non-agricultural EF 3.1 kg 0
ecb98fb1-6ff7-4e00-8420-bc8ec085398a Environmental → Ground → Unknown EF 3.1 kg 0
4f1fc1e0-5312-40b7-9fb8-31c8a420efe4 Environmental → Water → Long-term EF 3.1 kg 0
6c20084a-8d6c-436d-86a2-4f7e81db7e7a Environmental → Water → Ocean EF 3.1 kg 0
5714394e-86ca-4592-a9ab-81d4a7d24349 Environmental → Water → Surface water EF 3.1 kg 0
773f1f56-70bc-40b9-9790-2033001326a2 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
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