Consensus flow list

4-(4-methylbenzenesulfonyl)benzene-1,2-diol

fo-2ca408b33b4d9332

Identity

Type
Neutral molecule
CAS
107065-85-0
EC
695-163-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 4-(4-methylbenzenesulfonyl)benzene-1,2-diol

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string OGIVREKRNQXGTA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H12O4S/c1-9-2-4-10(5-3-9)18(16,17)11-6-7-12(14)13(15)8-11/h2-8,14-15H,1H3
IUPAC name chemrof:IUPAC_name 4-(4-methylbenzenesulfonyl)benzene-1,2-diol
Molecular formula chemrof:molecular_formula C13H12O4S
Molecular mass chemrof:molecular_mass 264.302
Monoisotopic mass chemrof:monoisotopic_mass 264.04563
SMILES string chemrof:smiles_string Cc1ccc(S(=O)(=O)c2ccc(O)c(O)c2)cc1

Known URLs

5

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=107065-85-0 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID20358217 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J163.977C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/881426 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q82138633 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
74c02aa9-0622-4b83-8d35-78493a4de433 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
bf3852fc-3892-410c-a11c-b449e8e1e779 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
2ed9313a-7f9d-4de3-a83d-94e4b813ea7f Environmental → Air → Indoor EF 3.1 kg 2
f67c05cb-aae9-43de-b034-3c57990dcc77 Environmental → Air → Long-term EF 3.1 kg 0
b5089456-8a6e-43ef-b0c7-102bcafe7a0a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
52a870d7-aaae-4f1b-a74f-f30b03e19267 Environmental → Air → Unknown EF 3.1 kg 2
bdfb4dbe-49b3-406c-87f2-a740652ba7a0 Environmental → Ground → Agricultural EF 3.1 kg 2
4115c6ad-47b1-448c-940a-747b2224c552 Environmental → Ground → Non-agricultural EF 3.1 kg 2
9be0267e-84a2-4bb2-b7fc-09cfeca9f2b2 Environmental → Ground → Unknown EF 3.1 kg 2
150e2c36-e84d-490d-841e-da04819a8ceb Environmental → Water → Long-term EF 3.1 kg 0
6d051943-d222-4ee2-b4f5-d4e7db3eaafc Environmental → Water → Ocean EF 3.1 kg 2
58f64ff7-f39e-4146-9217-971644be3832 Environmental → Water → Surface water EF 3.1 kg 2
0f731e60-2955-4c25-aef5-cc4131ee859f Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
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  ],
  "altLabel": [
    {
      "@value": "1,2-Benzenediol, 4-[(4-methylphenyl)sulfonyl]-",
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      "@value": "3,4-Dihydroxy-4′-methyldiphenyl sulfone",
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    },
    {
      "@value": "3,4-Dihydroxyphenyl 4-methylphenyl sulfone",
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}

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