Sodium 4-hydroxybenzenesulphonate
fo-9b33eb7e24e73886
Identity
- Type
- Chemical salt
- CAS
- 825-90-1
- EC
- 212-550-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
11- 4-Hydroxybenzenesulfonic acid sodium salt
- Benzenesulfonic acid, 4-hydroxy-, monosodium salt
- Benzenesulfonic acid, 4-hydroxy-, sodium salt (1:1)
- Benzenesulfonic acid, p-hydroxy-, monosodium salt
- p-Hydroxybenzenesulfonic acid monosodium salt
- p-Hydroxybenzenesulfonic acid sodium salt
- p-Phenolsulfonic acid sodium salt
- Sodium 4-hydroxybenzenesulfonate
- Sodium p-hydroxybenzenesulfonate
- Sodium p-hydroxyphenylsulfonate
- Sodium p-phenolsulfonate
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | BYMHXIQVEAYSJD-UHFFFAOYSA-M, ULUPAWKAWBVCAI-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H6O4S.Na/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4,7H,(H,8,9,10);/q;+1/p-1 |
| IUPAC name chemrof:IUPAC_name | Sodium 4-hydroxybenzenesulphonate |
| Molecular formula chemrof:molecular_formula | C6H5NaO4S, C6H6NaO4S |
| SMILES string chemrof:smiles_string | O=S(=O)([O-])c1ccc(O)cc1.[Na+] |
Known URLs
3Where 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=28469-73-0 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=825-90-1 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/24193063 | enrich_references.pubchem_compound |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| d0dca624-67dd-458c-99d5-3f0cbd3470ad | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| b4d0ed32-5468-4df4-98ad-993baa05c28f | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| e04a9297-a868-4026-ab65-149ecdc86117 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| b8a989c6-7c73-4de9-8b65-d789a3f1f07e | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 8a9e19c1-65e7-4e84-a746-31d2efdabed9 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| dc3f6573-3c19-411f-a610-98b74874eadb | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 5ccd7a1b-42ce-4afa-8a45-02bfd52a7e2d | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 10d2a808-50e8-4498-8e19-4df375046b4b | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| fd55e47d-0dd7-4027-8eed-b15b2f820eff | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| c2416181-4e34-41b7-8a80-99daaa2d3a67 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 1b688521-9f48-4c40-a0e3-63e02f50060f | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| a35006bf-764e-4a7d-8cca-e499be66b242 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 102be3df-9fad-4943-8074-fc357c12f0a3 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-9b33eb7e24e73886",
"prefLabel": [
{
"@value": "Sodium 4-hydroxybenzenesulphonate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "4-Hydroxybenzenesulfonic acid sodium salt",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:825-90-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=825-90-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Benzenesulfonic acid, 4-hydroxy-, monosodium salt",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:825-90-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=825-90-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Benzenesulfonic acid, 4-hydroxy-, sodium salt (1:1)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:825-90-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=825-90-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Benzenesulfonic acid, p-hydroxy-, monosodium salt",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:825-90-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=825-90-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "p-Hydroxybenzenesulfonic acid monosodium salt",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:825-90-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=825-90-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "p-Hydroxybenzenesulfonic acid sodium salt",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:825-90-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=825-90-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "p-Phenolsulfonic acid sodium salt",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:825-90-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=825-90-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sodium 4-hydroxybenzenesulfonate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:825-90-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=825-90-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sodium p-hydroxybenzenesulfonate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:825-90-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=825-90-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sodium p-hydroxyphenylsulfonate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:825-90-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=825-90-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sodium p-phenolsulfonate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:825-90-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=825-90-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C6H5NaO4S",
"C6H6NaO4S"
],
"attested_by": {
"C6H6NaO4S": [
"enrich_references.pubchem_semantic"
],
"C6H5NaO4S": [
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:24193063"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"O=S(=O)([O-])c1ccc(O)cc1.[Na+]"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"BYMHXIQVEAYSJD-UHFFFAOYSA-M",
"ULUPAWKAWBVCAI-UHFFFAOYSA-N"
],
"attested_by": {
"ULUPAWKAWBVCAI-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic"
],
"BYMHXIQVEAYSJD-UHFFFAOYSA-M": [
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:24193063"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"O=S(=O)([O-])c1ccc(O)cc1.[Na+]"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"O=S(=O)([O-])c1ccc(O)cc1.[Na+]"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"Sodium 4-hydroxybenzenesulphonate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"O=S(=O)([O-])c1ccc(O)cc1.[Na+]"
]
}
],
"attested_by": {
"O=S(=O)([O-])c1ccc(O)cc1.[Na+]": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C6H6O4S.Na/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4,7H,(H,8,9,10);/q;+1/p-1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"Sodium 4-hydroxybenzenesulphonate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"O=S(=O)([O-])c1ccc(O)cc1.[Na+]"
]
}
],
"attested_by": {
"InChI=1S/C6H6O4S.Na/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4,7H,(H,8,9,10);/q;+1/p-1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"Sodium 4-hydroxybenzenesulphonate"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"Sodium 4-hydroxybenzenesulphonate"
]
},
"attested_by": {
"Sodium 4-hydroxybenzenesulphonate": [
"opsin_iupac"
]
}
}
},
"references": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=28469-73-0",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:24193063;CAS:825-90-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[825-90-1]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=825-90-1",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:24193063;CAS:825-90-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[825-90-1]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/24193063",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:24193063;CAS:825-90-1"
],
"prov:wasDerivedFrom": "pubchem.by_cas[825-90-1]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "102be3df-9fad-4943-8074-fc357c12f0a3",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "multi_component_ionic",
"reason": "",
"types": [
"https://w3id.org/chemrof/ChemicalSalt"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "brightway-flows",
"prov:wasDerivedFrom": "semantic_typing.rule.multi_component_ionic"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"825-90-1"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=825-90-1"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=825-90-1"
}
],
"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": [
"212-550-0"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=212-550-0"
],
"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/ChemicalSalt"
]
}
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