3-amino-4-hydroxybenzenesulfonic Acid
fo-71af50d5c2bd64dc
Identity
- Type
- Neutral molecule
- CAS
- 98-37-3
- EC
- 202-662-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
14- 1-Amino-2-hydroxy-5-benzenesulfonic acid
- 1-Hydroxy-2-aminobenzene-4-sulfonic acid
- 1-Phenol-4-sulfonic acid, 2-amino-
- 2-Amino-1-hydroxybenzene-4-sulphonic acid
- 2-Amino-1-phenol-4-sulfonic acid
- 2-Amino-4-sulfophenol
- 2-Aminophenol-4-sulfonic acid
- 2-Hydroxy-5-sulfoaniline
- 3-Amino-4-hydroxybenzene-1-sulfonic acid
- 3-Azaniumyl-4-hydroxybenzenesulfonate
- 4-Hydroxy-3-aminobenzenesulfonic acid
- Benzenesulfonic acid, 3-amino-4-hydroxy-
- Metanilic acid, 4-hydroxy-
- o-Aminophenol-p-sulfonic acid
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | ULUIMLJNTCECJU-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H7NO4S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3,8H,7H2,(H,9,10,11) |
| IUPAC name chemrof:IUPAC_name | 3-amino-4-hydroxybenzenesulfonic Acid |
| Molecular formula chemrof:molecular_formula | C6H7NO4S |
| Molecular mass chemrof:molecular_mass | 189.192 |
| Monoisotopic mass chemrof:monoisotopic_mass | 189.009579 |
| SMILES string chemrof:smiles_string | Nc1cc(S(=O)(=O)O)ccc1O |
Known URLs
11Where 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=98-37-3 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.421 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5024500 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=1491 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1455467 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4WE7CX7RD5 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J76.375F | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7385 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2585 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=020195 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q20059738 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 85507bed-8d3d-4f29-87f9-6af9c643440a | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| fc2b40f2-bb17-4de2-9029-4c24c05abcdd | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| cf948a5b-ac19-4690-91c2-6062940464ea | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 647f3df7-d4ef-404a-8fe7-4972b3970d0f | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 18800bdf-2f87-49b2-9fee-b9bc5ff8830f | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 5c7edac1-aff1-457f-94c0-dd10efcd0bda | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| d7e38f4a-8b87-4ee2-baae-3edb7d0e77ee | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 5057bc23-3281-47c8-b397-3807447fef1a | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 1f3ff11e-a8d3-4354-8bca-963fd1506072 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 50e03240-9698-4f68-b0b2-d652ec7f86bf | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 0b4fc0ab-e521-4d47-830a-c6fc35e85f08 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 9c7109eb-fee3-47eb-bfbe-ce7d28b94728 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| d052a5a7-6a23-4413-840c-f741ba9c49a9 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
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"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "brightway-flows",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"98-37-3"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=98-37-3"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=98-37-3"
}
],
"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": [
"202-662-8"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=202-662-8"
],
"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