3,3'-sulfonyldianiline
fo-f4aff444a097ed0c
Identity
- Type
- Neutral molecule
- CAS
- 599-61-1
- EC
- 209-967-5
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
15- 3,3′-DAS
- 3,3′-DDS
- 3,3′-Diaminodiphenyl sulfone
- 3,3′-Diaminophenyl sulfone
- 3,3′-Sulfonylbis(aniline)
- 3,3′-Sulfonylbis[benzenamine]
- 3,3′-Sulfonyldianiline
- Aniline, 3,3′-sulfonyldi-
- Aradur 9719-1
- Aradur 9771-1
- Benzenamine, 3,3′-sulfonylbis-
- Bis(3-aminophenyl) sulfone
- Bis(m-aminophenyl) sulfone
- DAS (crosslinking agent)
- Omicure 33DDS
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | LJGHYPLBDBRCRZ-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C12H12N2O2S/c13-9-3-1-5-11(7-9)17(15,16)12-6-2-4-10(14)8-12/h1-8H,13-14H2 |
| IUPAC name chemrof:IUPAC_name | 3,3'-sulfonyldianiline |
| Molecular formula chemrof:molecular_formula | C12H12N2O2S |
| Molecular mass chemrof:molecular_mass | 248.307 |
| Monoisotopic mass chemrof:monoisotopic_mass | 248.061949 |
| SMILES string chemrof:smiles_string | Nc1cccc(S(=O)(=O)c2cccc(N)c2)c1 |
Known URLs
10Where 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=599-61-1 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.009.062 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3044962 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=20610 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1535508 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/YFY9Q1LQN9 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0246006 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J55.233J | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/11741 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27294498 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| bd6a79de-8ba3-46e8-b525-082e52be861d | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 153ac8e9-a2d4-40e2-bee0-226965cc59a9 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 91bd116c-2cb4-4810-8ed2-1c25ccd072dd | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 8d81aff3-487a-422e-a448-930741859b2d | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 4b4ea515-e607-490c-907f-37d7ef00bd36 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 1736f112-12c8-473d-8d9f-e16264aea0d5 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| d45ff253-f83e-4c0b-913b-dbb70fc57070 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| d1ec9d2d-cdb0-4a98-873c-9c1581a91738 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| bd955aa5-4e44-4676-b8a8-1c37cfabe78b | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| e1aaad8a-c4b8-4f7a-9a23-4e316af43fe1 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 83d2346b-9bcc-4c83-8101-6787c508f1b9 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| bd03f37d-a36b-432e-be8a-1f1b273dce35 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 364d9a18-a8f3-4d85-9f9a-a01d80825c24 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
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"599-61-1"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=599-61-1"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=599-61-1"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"209-967-5"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=209-967-5"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "brightway-flows",
"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"
]
}
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