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4-nitrotoluene

UUID 699bfb25-cfce-4db1-ac4b-cb680d38306a
Flow Object IDfo-8393a576cf5c26e9
Source EF 3.1
Context Environmental → Water → Ocean
CAS Numbers 99-99-0
EC Numbers 202-808-0
prefLabel
Language Value Provenance
en 4-nitrotoluene
altLabel ⓘ
Language Value Provenance
en 1-Methyl-4-nitrobenzene
en 4-Nitrotoluol
en 4-methylnitrobenzene
en PNT
en p-methylnitrobenzene
en p-nitrotoluene
en para-Nitrotoluol
en 4-Methyl-1-nitrobenzene
en <em>p</em>-Methylnitrobenzene
en <em>p</em>-Nitrotoluene
en <em>para</em>-Nitrotoluene
en Benzene, 1-methyl-4-nitro-
en NSC 9579
en Toluene, <em>p</em>-nitro-
Definitions
Language Value Provenance
en A mononitrotoluene that consists of toluene bearing a nitro substituent at the 4-position.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey ZPTVNYMJQHSSEA-UHFFFAOYSA-N
InChI InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3
IUPAC name 1-methyl-4-nitro-benzene, 1-methyl-4-nitrobenzene
Molecular formula C7H7NO2
Molecular mass 137.138
Monoisotopic mass 137.04768
SMILES CC1=CC=C(C=C1)[N+](=O)[O-], Cc1ccc([N+](=O)[O-])cc1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 699bfb25-cfce-4db1-ac4b-cb680d38306a 4-nitrotoluene

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 4-nitrotoluene Emissions/Emissions to water/Emissions to sea water 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=4-nitrotoluene||dimension=Environmental > media=Water > water_body=Unknown; cas=99-99-0; added Common Chemistry CAS names as altLabel: 4-Methyl-1-nitrobenzene, <em>p</em>-Methylnitrobenzene, <em>p</em>-Nitrotoluene, <em>para</em>-Nitrotoluene, Benzene, 1-methyl-4-nitro-, NSC 9579, Toluene, <em>p</em>-nitro-; object_uuid=fo-8393a576cf5c26e9
cas_match_labels 1 — consensus_match group_key=4-nitrotoluene||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'99-99-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8393a576cf5c26e9: {'99-99-0': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyOcean

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '1-Methyl-4-nitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1-Methyl-4-nitrobenzene', 'http://purl.obolibrary.org/obo/CHEBI_35227', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-Nitrotoluol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-Nitrotoluol', 'http://purl.obolibrary.org/obo/CHEBI_35227', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-methylnitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-methylnitrobenzene', 'http://purl.obolibrary.org/obo/CHEBI_35227', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'PNT', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:PNT', 'http://purl.obolibrary.org/obo/CHEBI_35227', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'p-methylnitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:p-methylnitrobenzene', 'http://purl.obolibrary.org/obo/CHEBI_35227', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'p-nitrotoluene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:p-nitrotoluene', 'http://purl.obolibrary.org/obo/CHEBI_35227', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'para-Nitrotoluol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:para-Nitrotoluol', 'http://purl.obolibrary.org/obo/CHEBI_35227', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '1-Methyl-4-nitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1-Methyl-4-nitrobenzene', 'http://purl.obolibrary.org/obo/CHEBI_35227', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-Nitrotoluol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-Nitrotoluol', 'http://purl.obolibrary.org/obo/CHEBI_35227', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-methylnitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-methylnitrobenzene', 'http://purl.obolibrary.org/obo/CHEBI_35227', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'PNT', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:PNT', 'http://purl.obolibrary.org/obo/CHEBI_35227', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'p-methylnitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:p-methylnitrobenzene', 'http://purl.obolibrary.org/obo/CHEBI_35227', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'p-nitrotoluene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:p-nitrotoluene', 'http://purl.obolibrary.org/obo/CHEBI_35227', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'para-Nitrotoluol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:para-Nitrotoluol', 'http://purl.obolibrary.org/obo/CHEBI_35227', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-Methyl-1-nitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:99-99-0', 'https://commonchemistry.cas.org/detail?cas_rn=99-99-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-Methylnitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:99-99-0', 'https://commonchemistry.cas.org/detail?cas_rn=99-99-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-Nitrotoluene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:99-99-0', 'https://commonchemistry.cas.org/detail?cas_rn=99-99-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>para</em>-Nitrotoluene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:99-99-0', 'https://commonchemistry.cas.org/detail?cas_rn=99-99-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzene, 1-methyl-4-nitro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:99-99-0', 'https://commonchemistry.cas.org/detail?cas_rn=99-99-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 9579', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:99-99-0', 'https://commonchemistry.cas.org/detail?cas_rn=99-99-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Toluene, <em>p</em>-nitro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:99-99-0', 'https://commonchemistry.cas.org/detail?cas_rn=99-99-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=4-nitrotoluene||dimension=Environmental > media=Water > water_body=Unknown; cas=99-99-0; added Common Chemistry CAS names as altLabel: 4-Methyl-1-nitrobenzene, <em>p</em>-Methylnitrobenzene, <em>p</em>-Nitrotoluene, <em>para</em>-Nitrotoluene, Benzene, 1-methyl-4-nitro-, NSC 9579, Toluene, <em>p</em>-nitro-; object_uuid=fo-8393a576cf5c26e9
cas_match_labels None {'99-99-0': 'exactMatch'} group_key=4-nitrotoluene||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'99-99-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8393a576cf5c26e9: {'99-99-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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