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
Alternative labels
6- 1,2-Benzenediol, 4-[(4-methylphenyl)sulfonyl]-
- 3,4-Dihydroxy-4′-methyldiphenyl sulfone
- 3,4-Dihydroxyphenyl 4-methylphenyl sulfone
- 3,4-Dihydroxyphenyl-p-tolylsulfone
- 4-(p-Tosyl)catechol
- 4-[(4-Methylphenyl)sulfonyl]-1,2-benzenediol
Properties
| Property | Value |
|---|---|
| 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
5Where 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 | 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)
Full record
Flow object JSON
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
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