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2-methyl-5-nitrobenzenesulfonic Acid

UUID 00ad5dd8-ae8e-4bc0-89b9-1e3b36efcc5e
Flow Object IDfo-d7347394ca13e649
Source EF 3.1
Context Environmental → Ground → Agricultural
CAS Numbers 121-03-9
EC Numbers 204-445-3
prefLabel
Language Value Provenance
en 2-methyl-5-nitrobenzenesulfonic Acid
altLabel ⓘ
Language Value Provenance
en 2-methyl-5-nitrobenzenesulphonic acid
en 4-Nitro-2-toluenesulfonic acid
en 4-mitro-2-toluenesulphonic acid
en 4-nitrotoluene-2-sulphonic acid
en 5-Nitro-2-methylbenzenesulfonic acid
en 5-Nitro-o-toluenesulfonic acid
en 5-nitro-2-methylbenzenesulphonic acid
en 5-nitro-o-toluenesulphonic acid
en p-Nitrotoluene-o-sulfonic acid
en p-nitrotoluene-o-sulphonic acid
en p-nitrotoluol-o-sulfonic acid
en 5-Nitro-<em>o</em>-toluenesulfonic acid
en <em>o</em>-Toluenesulfonic acid, 5-nitro-
en <em>p</em>-Nitrotoluene-<em>o</em>-sulfonic acid
en Benzenesulfonic acid, 2-methyl-5-nitro-
en NSC 9580
en PNTOS
Definitions
Language Value Provenance
en The arenesulfonic acid that is toluene-2-sulfonic acid bearing a nitro substituent at C-4.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey ZDTXQHVBLWYPHS-UHFFFAOYSA-N
InChI InChI=1S/C7H7NO5S/c1-5-2-3-6(8(9)10)4-7(5)14(11,12)13/h2-4H,1H3,(H,11,12,13)
IUPAC name 2-methyl-5-nitro-benzenesulfonic acid, 2-methyl-5-nitro-besylic acid, 2-methyl-5-nitrobenzenesulfonic acid
Molecular formula C7H7NO5S
Molecular mass 217.202
Monoisotopic mass 217.00449
SMILES CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)O, Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 00ad5dd8-ae8e-4bc0-89b9-1e3b36efcc5e 2-methyl-5-nitrobenzenesulfonic acid

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 2-methyl-5-nitrobenzenesulfonic acid Emissions/Emissions to soil/Emissions to agricultural soil 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=2-methyl-5-nitrobenzenesulfonicacid||dimension=Environmental > media=Ground > geography=Agricultural; cas=121-03-9; added Common Chemistry CAS names as altLabel: 5-Nitro-<em>o</em>-toluenesulfonic acid, <em>o</em>-Toluenesulfonic acid, 5-nitro-, <em>p</em>-Nitrotoluene-<em>o</em>-sulfonic acid, Benzenesulfonic acid, 2-methyl-5-nitro-, NSC 9580, PNTOS; object_uuid=fo-d7347394ca13e649
cas_match_labels 1 — consensus_match group_key=2-methyl-5-nitrobenzenesulfonicacid||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'121-03-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d7347394ca13e649: {'121-03-9': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyAgricultural

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '2-methyl-5-nitrobenzenesulphonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-methyl-5-nitrobenzenesulphonic acid', 'http://purl.obolibrary.org/obo/CHEBI_67120', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-Nitro-2-toluenesulfonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-Nitro-2-toluenesulfonic acid', 'http://purl.obolibrary.org/obo/CHEBI_67120', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-mitro-2-toluenesulphonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-mitro-2-toluenesulphonic acid', 'http://purl.obolibrary.org/obo/CHEBI_67120', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-nitrotoluene-2-sulphonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-nitrotoluene-2-sulphonic acid', 'http://purl.obolibrary.org/obo/CHEBI_67120', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '5-Nitro-2-methylbenzenesulfonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:5-Nitro-2-methylbenzenesulfonic acid', 'http://purl.obolibrary.org/obo/CHEBI_67120', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '5-Nitro-o-toluenesulfonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:5-Nitro-o-toluenesulfonic acid', 'http://purl.obolibrary.org/obo/CHEBI_67120', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '5-nitro-2-methylbenzenesulphonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:5-nitro-2-methylbenzenesulphonic acid', 'http://purl.obolibrary.org/obo/CHEBI_67120', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '5-nitro-o-toluenesulphonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:5-nitro-o-toluenesulphonic acid', 'http://purl.obolibrary.org/obo/CHEBI_67120', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'p-Nitrotoluene-o-sulfonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:p-Nitrotoluene-o-sulfonic acid', 'http://purl.obolibrary.org/obo/CHEBI_67120', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'p-nitrotoluene-o-sulphonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:p-nitrotoluene-o-sulphonic acid', 'http://purl.obolibrary.org/obo/CHEBI_67120', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'p-nitrotoluol-o-sulfonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:p-nitrotoluol-o-sulfonic acid', 'http://purl.obolibrary.org/obo/CHEBI_67120', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '2-methyl-5-nitrobenzenesulphonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-methyl-5-nitrobenzenesulphonic acid', 'http://purl.obolibrary.org/obo/CHEBI_67120', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-Nitro-2-toluenesulfonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-Nitro-2-toluenesulfonic acid', 'http://purl.obolibrary.org/obo/CHEBI_67120', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-mitro-2-toluenesulphonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-mitro-2-toluenesulphonic acid', 'http://purl.obolibrary.org/obo/CHEBI_67120', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-nitrotoluene-2-sulphonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-nitrotoluene-2-sulphonic acid', 'http://purl.obolibrary.org/obo/CHEBI_67120', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '5-Nitro-2-methylbenzenesulfonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:5-Nitro-2-methylbenzenesulfonic acid', 'http://purl.obolibrary.org/obo/CHEBI_67120', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '5-Nitro-o-toluenesulfonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:5-Nitro-o-toluenesulfonic acid', 'http://purl.obolibrary.org/obo/CHEBI_67120', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '5-nitro-2-methylbenzenesulphonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:5-nitro-2-methylbenzenesulphonic acid', 'http://purl.obolibrary.org/obo/CHEBI_67120', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '5-nitro-o-toluenesulphonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:5-nitro-o-toluenesulphonic acid', 'http://purl.obolibrary.org/obo/CHEBI_67120', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'p-Nitrotoluene-o-sulfonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:p-Nitrotoluene-o-sulfonic acid', 'http://purl.obolibrary.org/obo/CHEBI_67120', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'p-nitrotoluene-o-sulphonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:p-nitrotoluene-o-sulphonic acid', 'http://purl.obolibrary.org/obo/CHEBI_67120', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'p-nitrotoluol-o-sulfonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:p-nitrotoluol-o-sulfonic acid', 'http://purl.obolibrary.org/obo/CHEBI_67120', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '5-Nitro-<em>o</em>-toluenesulfonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:121-03-9', 'https://commonchemistry.cas.org/detail?cas_rn=121-03-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>o</em>-Toluenesulfonic acid, 5-nitro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:121-03-9', 'https://commonchemistry.cas.org/detail?cas_rn=121-03-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-Nitrotoluene-<em>o</em>-sulfonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:121-03-9', 'https://commonchemistry.cas.org/detail?cas_rn=121-03-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzenesulfonic acid, 2-methyl-5-nitro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:121-03-9', 'https://commonchemistry.cas.org/detail?cas_rn=121-03-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 9580', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:121-03-9', 'https://commonchemistry.cas.org/detail?cas_rn=121-03-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'PNTOS', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:121-03-9', 'https://commonchemistry.cas.org/detail?cas_rn=121-03-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2-methyl-5-nitrobenzenesulfonicacid||dimension=Environmental > media=Ground > geography=Agricultural; cas=121-03-9; added Common Chemistry CAS names as altLabel: 5-Nitro-<em>o</em>-toluenesulfonic acid, <em>o</em>-Toluenesulfonic acid, 5-nitro-, <em>p</em>-Nitrotoluene-<em>o</em>-sulfonic acid, Benzenesulfonic acid, 2-methyl-5-nitro-, NSC 9580, PNTOS; object_uuid=fo-d7347394ca13e649
cas_match_labels None {'121-03-9': 'exactMatch'} group_key=2-methyl-5-nitrobenzenesulfonicacid||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'121-03-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d7347394ca13e649: {'121-03-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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