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1-methyl-2-nitrobenzene

UUID 8e54f81c-7f99-4c62-a20f-4d046daf5c16
Flow Object IDfo-716365507656934a
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 1321-12-6
EC Numbers 215-311-9
prefLabel ⓘ
Language Value Provenance
en 1-methyl-2-nitrobenzene
altLabel ⓘ
Language Value Provenance
en Benzene, methylnitro-
en Methylnitrobenzene
en Mononitrotoluene
en Nitrophenylmethane
en Nitrotoluene
en Toluene, <em>ar</em>-nitro-
References
Shared Properties
Predicate Value
InChIKey PLAZTCDQAHEYBI-UHFFFAOYSA-N, QZYHIOPPLUPUJF-UHFFFAOYSA-N
InChI InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3, InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3
IUPAC name 1-methyl-2-nitro-benzene, 1-methyl-2-nitrobenzene, 1-methyl-3-nitro-benzene, 1-methyl-3-nitrobenzene
Molecular formula C7H7NO2
SMILES CC1=CC(=CC=C1)[N+](=O)[O-], CC1=CC=CC=C1[N+](=O)[O-]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 8e54f81c-7f99-4c62-a20f-4d046daf5c16 toluene, reaction product with nitrosulphuric acid (mixture of concentrated nitric acid and concentrated sulphuric acid)

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 toluene, reaction product with nitrosulphuric acid (mixture of concentrated nitric acid and concentrated sulphuric acid) Emissions/Emissions to air/Emissions to air, unspecified kg exactMatch —

Consolidated Field Provenance

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

Field Change Count Latest Time Transformers Latest Comment
altLabel 2 — consensus_match group_key=toluene,reactionproductwithnitrosulphuricacid(mixtureofconcentratednitricacidandconcentratedsulphuricacid)||dimension=Environmental > media=Water > water_body=Surface water; cas=1321-12-6; added Common Chemistry CAS names as altLabel: Benzene, methylnitro-, Methylnitrobenzene, Mononitrotoluene, Nitrophenylmethane, Nitrotoluene, Toluene, <em>ar</em>-nitro-; object_uuid=fo-716365507656934a
cas_match_labels 1 — consensus_match group_key=toluene,reactionproductwithnitrosulphuricacid(mixtureofconcentratednitricacidandconcentratedsulphuricacid)||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'1321-12-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-716365507656934a: {'1321-12-6': 'exactMatch'}
prefLabel 1 — consensus_match group_key=toluene,reactionproductwithnitrosulphuricacid(mixtureofconcentratednitricacidandconcentratedsulphuricacid)||dimension=Environmental > media=Water > water_body=Surface water; cas=1321-12-6; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=3.8219; pubchem_entropy=3.5842; current_score=4.8519; pubchem_score=3.7842; score_improvement=1.0677; threshold=0.400; min_margin=0.400; object_uuid=fo-716365507656934a

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataUnknown

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': 'Toluene, Reaction Product With Nitrosulphuric Acid (mixture Of Concentrated Nitric Acid And Concentrated Sulphuric Acid)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': '1-methyl-2-nitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1321-12-6', 'name:1-methyl-2-nitrobenzene', 'https://pubchem.ncbi.nlm.nih.gov/compound/6944'], 'prov:wasDerivedFrom': 'pubchem preferred label selection'}}] group_key=toluene,reactionproductwithnitrosulphuricacid(mixtureofconcentratednitricacidandconcentratedsulphuricacid)||dimension=Environmental > media=Water > water_body=Surface water; cas=1321-12-6; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=3.8219; pubchem_entropy=3.5842; current_score=4.8519; pubchem_score=3.7842; score_improvement=1.0677; threshold=0.400; min_margin=0.400; object_uuid=fo-716365507656934a
altLabel None [{'@value': 'Toluene, Reaction Product With Nitrosulphuric Acid (mixture Of Concentrated Nitric Acid And Concentrated Sulphuric Acid)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original EF name retained as altLabel'}}] group_key=toluene,reactionproductwithnitrosulphuricacid(mixtureofconcentratednitricacidandconcentratedsulphuricacid)||dimension=Environmental > media=Water > water_body=Surface water; cas=1321-12-6; added current EF name as altLabel when prefLabel differs; object_uuid=fo-716365507656934a
altLabel [{'@value': 'Toluene, Reaction Product With Nitrosulphuric Acid (mixture Of Concentrated Nitric Acid And Concentrated Sulphuric Acid)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original EF name retained as altLabel'}}] [{'@value': 'Benzene, methylnitro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1321-12-6', 'https://commonchemistry.cas.org/detail?cas_rn=1321-12-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methylnitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1321-12-6', 'https://commonchemistry.cas.org/detail?cas_rn=1321-12-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Mononitrotoluene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1321-12-6', 'https://commonchemistry.cas.org/detail?cas_rn=1321-12-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Nitrophenylmethane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1321-12-6', 'https://commonchemistry.cas.org/detail?cas_rn=1321-12-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Nitrotoluene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1321-12-6', 'https://commonchemistry.cas.org/detail?cas_rn=1321-12-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Toluene, <em>ar</em>-nitro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1321-12-6', 'https://commonchemistry.cas.org/detail?cas_rn=1321-12-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=toluene,reactionproductwithnitrosulphuricacid(mixtureofconcentratednitricacidandconcentratedsulphuricacid)||dimension=Environmental > media=Water > water_body=Surface water; cas=1321-12-6; added Common Chemistry CAS names as altLabel: Benzene, methylnitro-, Methylnitrobenzene, Mononitrotoluene, Nitrophenylmethane, Nitrotoluene, Toluene, <em>ar</em>-nitro-; object_uuid=fo-716365507656934a
cas_match_labels None {'1321-12-6': 'exactMatch'} group_key=toluene,reactionproductwithnitrosulphuricacid(mixtureofconcentratednitricacidandconcentratedsulphuricacid)||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'1321-12-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-716365507656934a: {'1321-12-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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    "strata": "Unknown"
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  "unit": "kg",
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      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
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