3-amino-4-hydroxybenzenesulfonic Acid

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3-amino-4-hydroxybenzenesulfonic Acid

UUID fc2b40f2-bb17-4de2-9029-4c24c05abcdd

Flow Object ID fo-71af50d5c2bd64dc

Source EF 3.1

Context Environmental → Air → Ground level → Urban (>1000 people/square mile)

CAS Numbers 98-37-3

EC Numbers 202-662-8

prefLabel

Language	Value	Provenance
`en`	`3-amino-4-hydroxybenzenesulfonic Acid`

altLabel ⓘ

Language	Value	Provenance
`en`	`1-Amino-2-hydroxy-5-benzenesulfonic acid`
`en`	`1-Hydroxy-2-aminobenzene-4-sulfonic acid`
`en`	`1-Phenol-4-sulfonic acid, 2-amino-`
`en`	`2-Amino-1-hydroxybenzene-4-sulphonic acid`
`en`	`2-Amino-1-phenol-4-sulfonic acid`
`en`	`2-Amino-4-sulfophenol`
`en`	`2-Aminophenol-4-sulfonic acid`
`en`	`2-Hydroxy-5-sulfoaniline`
`en`	`3-Amino-4-hydroxybenzene-1-sulfonic acid`
`en`	`3-Azaniumyl-4-hydroxybenzenesulfonate`
`en`	`4-Hydroxy-3-aminobenzenesulfonic acid`
`en`	`<em>o</em>-Aminophenol-<em>p</em>-sulfonic acid`
`en`	`Benzenesulfonic acid, 3-amino-4-hydroxy-`
`en`	`Metanilic acid, 4-hydroxy-`
`en`	`NSC 1491`

References

Shared Properties

Predicate	Value
InChIKey	`AIURAMXXRGQLDJ-UHFFFAOYSA-N, APTPPYQXBFFQHZ-UHFFFAOYSA-N, MCUGGDKVCGPOFT-UHFFFAOYSA-N, RTJUXLYUUDBAJN-KVQBGUIXSA-N, ULUIMLJNTCECJU-UHFFFAOYSA-N, XANZQEFWHPLPRS-UHFFFAOYSA-N`
InChI	InChI=1S/2C6H7NO4S.H2O/c27-5-3-4(12(9,10)11)1-2-6(5)8;/h21-3,8H,7H2,(H,9,10,11);1H2, InChI=1S/C10H12FN5O3/c11-4-1-6(19-5(4)2-17)16-3-13-7-8(16)14-10(12)15-9(7)18/h3-6,17H,1-2H2,(H3,12,14,15,18)/t4-,5+,6+/m0/s1, InChI=1S/C6H7NO4S.H2O/c7-5-3-4(12(9,10)11)1-2-6(5)8;/h1-3,8H,7H2,(H,9,10,11);1H2, InChI=1S/C6H7NO4S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3,8H,7H2,(H,9,10,11), InChI=1S/C6H9NO4S/c7-5-3-1-2-4-6(5,8)12(9,10)11/h1-5,8H,7H2,(H,9,10,11), InChI=1S/C8H9NO.ClH/c1-6(10)7-4-2-3-5-8(7)9;/h2-5H,9H2,1H3;1H
IUPAC name	1-(2-aminophenyl)ethanone;hydrochloride, 2-amino-9-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)-2-oxolanyl]-1H-purin-6-one, 2-amino-9-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one, 2-amino-9-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-purin-6-one, 2-amino-9-[(2R,4S,5R)-4-fluoro-5-methylol-tetrahydrofuran-2-yl]hypoxanthine, 2-azanyl-9-[(2R,4S,5R)-4-fluoranyl-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one, 3-amino-4-hydroxy-benzenesulfonic acid, 3-amino-4-hydroxy-benzenesulfonic acid;hydrate, 3-amino-4-hydroxy-besylic acid, 3-amino-4-hydroxy-besylic acid;hydrate, 3-amino-4-hydroxybenzenesulfonic acid, 3-amino-4-hydroxybenzenesulfonic acid;hydrate, 3-azanyl-4-oxidanyl-benzenesulfonic acid, 3-azanyl-4-oxidanyl-benzenesulfonic acid;hydrate, 6-amino-1-hydroxy-1-cyclohexa-2,4-dienesulfonic acid, 6-amino-1-hydroxy-cyclohexa-2,4-diene-1-sulfonic acid, 6-amino-1-hydroxycyclohexa-2,4-diene-1-sulfonic acid, 6-azanyl-1-oxidanyl-cyclohexa-2,4-diene-1-sulfonic acid, bis(3-amino-4-hydroxy-benzenesulfonic acid);hydrate, bis(3-amino-4-hydroxy-besylic acid);hydrate, bis(3-amino-4-hydroxybenzenesulfonic acid);hydrate, bis(3-azanyl-4-oxidanyl-benzenesulfonic acid);hydrate
Molecular formula	`C10H12FN5O3, C12H16N2O9S2, C6H7NO4S, C6H9NO4S, C6H9NO5S, C8H10ClNO`
SMILES	`C1=CC(=C(C=C1S(=O)(=O)O)N)O, C1=CC(=C(C=C1S(=O)(=O)O)N)O.C1=CC(=C(C=C1S(=O)(=O)O)N)O.O, C1=CC(=C(C=C1S(=O)(=O)O)N)O.O, C1=CC(C(C=C1)(O)S(=O)(=O)O)N, C1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)CO)F, C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)CO)F, CC(=O)C1=CC=CC=C1N.Cl`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`fc2b40f2-bb17-4de2-9029-4c24c05abcdd`	3-amino-4-hydroxybenzenesulfonic acid

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	3-amino-4-hydroxybenzenesulfonic acid	Emissions/Emissions to air/Emissions to urban air close to ground	kg	`exactMatch`	—

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field	Change Count	Latest Time	Transformers	Latest Comment
`altLabel`	1	`—`	consensus_match	group_key=3-amino-4-hydroxybenzenesulfonicacid\|\|dimension=Environmental > media=Water > water_body=Ocean; cas=98-37-3; added Common Chemistry CAS names as altLabel: 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, <em>o</em>-Aminophenol-<em>p</em>-sulfonic acid, Benzenesulfonic acid, 3-amino-4-hydroxy-, Metanilic acid, 4-hydroxy-, NSC 1491; object_uuid=fo-71af50d5c2bd64dc
`cas_match_labels`	1	`—`	consensus_match	group_key=3-amino-4-hydroxybenzenesulfonicacid\|\|dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'98-37-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-71af50d5c2bd64dc: {'98-37-3': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Ground level
population_density	Urban (>1000 people/square mile)

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '1-Amino-2-hydroxy-5-benzenesulfonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-37-3', 'https://commonchemistry.cas.org/detail?cas_rn=98-37-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-Hydroxy-2-aminobenzene-4-sulfonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-37-3', 'https://commonchemistry.cas.org/detail?cas_rn=98-37-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-Phenol-4-sulfonic acid, 2-amino-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-37-3', 'https://commonchemistry.cas.org/detail?cas_rn=98-37-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Amino-1-hydroxybenzene-4-sulphonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-37-3', 'https://commonchemistry.cas.org/detail?cas_rn=98-37-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Amino-1-phenol-4-sulfonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-37-3', 'https://commonchemistry.cas.org/detail?cas_rn=98-37-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Amino-4-sulfophenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-37-3', 'https://commonchemistry.cas.org/detail?cas_rn=98-37-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Aminophenol-4-sulfonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-37-3', 'https://commonchemistry.cas.org/detail?cas_rn=98-37-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Hydroxy-5-sulfoaniline', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-37-3', 'https://commonchemistry.cas.org/detail?cas_rn=98-37-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Amino-4-hydroxybenzene-1-sulfonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-37-3', 'https://commonchemistry.cas.org/detail?cas_rn=98-37-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Azaniumyl-4-hydroxybenzenesulfonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-37-3', 'https://commonchemistry.cas.org/detail?cas_rn=98-37-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Hydroxy-3-aminobenzenesulfonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-37-3', 'https://commonchemistry.cas.org/detail?cas_rn=98-37-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>o</em>-Aminophenol-<em>p</em>-sulfonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-37-3', 'https://commonchemistry.cas.org/detail?cas_rn=98-37-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzenesulfonic acid, 3-amino-4-hydroxy-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-37-3', 'https://commonchemistry.cas.org/detail?cas_rn=98-37-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Metanilic acid, 4-hydroxy-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-37-3', 'https://commonchemistry.cas.org/detail?cas_rn=98-37-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 1491', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-37-3', 'https://commonchemistry.cas.org/detail?cas_rn=98-37-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=3-amino-4-hydroxybenzenesulfonicacid\|\|dimension=Environmental > media=Water > water_body=Ocean; cas=98-37-3; added Common Chemistry CAS names as altLabel: 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, <em>o</em>-Aminophenol-<em>p</em>-sulfonic acid, Benzenesulfonic acid, 3-amino-4-hydroxy-, Metanilic acid, 4-hydroxy-, NSC 1491; object_uuid=fo-71af50d5c2bd64dc
`cas_match_labels`	`None`	`{'98-37-3': 'exactMatch'}`	group_key=3-amino-4-hydroxybenzenesulfonicacid\|\|dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'98-37-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-71af50d5c2bd64dc: {'98-37-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "uuid": "fc2b40f2-bb17-4de2-9029-4c24c05abcdd",
  "name": null,
  "cas_numbers": [
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  "ec_numbers": [
    "202-662-8"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Ground level",
    "population_density": "Urban (>1000 people/square mile)"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
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      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 21.718
    },
    {
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      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 21.718
    }
  ],
  "source": "EF 3.1",
  "identifier": "fc2b40f2-bb17-4de2-9029-4c24c05abcdd",
  "input_datasets": [
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  ],
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      "list_version": "3.1",
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      "source_flow_name": "3-amino-4-hydroxybenzenesulfonic acid",
      "source_metadata": {
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        "original_context": [
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          "Emissions to air",
          "Emissions to urban air close to ground"
        ]
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  "prefLabel": [
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  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C10H12FN5O3",
        "C12H16N2O9S2",
        "C6H7NO4S",
        "C6H9NO4S",
        "C6H9NO5S",
        "C8H10ClNO"
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        "C1=CC(=C(C=C1S(=O)(=O)O)N)O.C1=CC(=C(C=C1S(=O)(=O)O)N)O.O",
        "C1=CC(=C(C=C1S(=O)(=O)O)N)O.O",
        "C1=CC(C(C=C1)(O)S(=O)(=O)O)N",
        "C1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)CO)F",
        "C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)CO)F",
        "CC(=O)C1=CC=CC=C1N.Cl"
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      "@value": [
        "InChI=1S/2C6H7NO4S.H2O/c2*7-5-3-4(12(9,10)11)1-2-6(5)8;/h2*1-3,8H,7H2,(H,9,10,11);1H2",
        "InChI=1S/C10H12FN5O3/c11-4-1-6(19-5(4)2-17)16-3-13-7-8(16)14-10(12)15-9(7)18/h3-6,17H,1-2H2,(H3,12,14,15,18)/t4-,5+,6+/m0/s1",
        "InChI=1S/C6H7NO4S.H2O/c7-5-3-4(12(9,10)11)1-2-6(5)8;/h1-3,8H,7H2,(H,9,10,11);1H2",
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        "InChI=1S/C6H9NO4S/c7-5-3-1-2-4-6(5,8)12(9,10)11/h1-5,8H,7H2,(H,9,10,11)",
        "InChI=1S/C8H9NO.ClH/c1-6(10)7-4-2-3-5-8(7)9;/h2-5H,9H2,1H3;1H"
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    "https://w3id.org/chemrof/IUPAC_name": {
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      "@value": [
        "1-(2-aminophenyl)ethanone;hydrochloride",
        "2-amino-9-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)-2-oxolanyl]-1H-purin-6-one",
        "2-amino-9-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one",
        "2-amino-9-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-purin-6-one",
        "2-amino-9-[(2R,4S,5R)-4-fluoro-5-methylol-tetrahydrofuran-2-yl]hypoxanthine",
        "2-azanyl-9-[(2R,4S,5R)-4-fluoranyl-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one",
        "3-amino-4-hydroxy-benzenesulfonic acid",
        "3-amino-4-hydroxy-benzenesulfonic acid;hydrate",
        "3-amino-4-hydroxy-besylic acid",
        "3-amino-4-hydroxy-besylic acid;hydrate",
        "3-amino-4-hydroxybenzenesulfonic acid",
        "3-amino-4-hydroxybenzenesulfonic acid;hydrate",
        "3-azanyl-4-oxidanyl-benzenesulfonic acid",
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