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4-methyl-3-nitrobenzoic Acid

UUID 10b68985-1e81-4d3b-b03e-4e6efc1a2d7d
Flow Object IDfo-c8f5758d10d308a8
Source EF 3.1
Context Environmental → Air → Ground level → Urban (>1000 people/square mile)
CAS Numbers 96-98-0
EC Numbers 202-549-3
prefLabel
Language Value Provenance
en 4-methyl-3-nitrobenzoic Acid
altLabel ⓘ
Language Value Provenance
en 3-Nitro-4-methylbenzoic acid
en 3-Nitro-<em>p</em>-toluic acid
en <em>p</em>-Toluic acid, 3-nitro-
en Benzoic acid, 4-methyl-3-nitro-
en NSC 50659
References
Shared Properties
Predicate Value
InChIKey BBEWSMNRCUXQRF-UHFFFAOYSA-M, BBEWSMNRCUXQRF-UHFFFAOYSA-N, VVBLNCFGVYUYGU-UHFFFAOYSA-N, XDTTUTIFWDAMIX-UHFFFAOYSA-N, YFPBHPCMYFCRKS-UHFFFAOYSA-N
InChI InChI=1S/C17H20N2O/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12H,1-4H3, InChI=1S/C8H7NO4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3,(H,10,11), InChI=1S/C8H7NO4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3,(H,10,11)/p-1, InChI=1S/C8H7NO4/c1-5-4-6(8(10)11)2-3-7(5)9(12)13/h2-4H,1H3,(H,10,11), InChI=1S/C9H9NO4/c1-6-3-4-7(9(11)14-2)5-8(6)10(12)13/h3-5H,1-2H3
IUPAC name 3-methyl-4-nitro-benzoic acid, 3-methyl-4-nitrobenzoic acid, 4-methyl-3-nitro-benzoate, 4-methyl-3-nitro-benzoic acid, 4-methyl-3-nitro-benzoic acid methyl ester, 4-methyl-3-nitrobenzoate, 4-methyl-3-nitrobenzoic acid, 4-methyl-3-nitrobenzoic acid methyl ester, bis[4-(dimethylamino)phenyl]methanone, methyl 4-methyl-3-nitro-benzoate, methyl 4-methyl-3-nitrobenzoate
Molecular formula C17H20N2O, C8H6NO4-, C8H7NO4, C9H9NO4
SMILES CC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-], CC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-], CC1=C(C=C(C=C1)C(=O)[O-])[N+](=O)[O-], CC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-], CN(C)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 10b68985-1e81-4d3b-b03e-4e6efc1a2d7d 4-methyl-3-nitrobenzoic acid

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 4-methyl-3-nitrobenzoic 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=4-methyl-3-nitrobenzoicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=96-98-0; added Common Chemistry CAS names as altLabel: 3-Nitro-4-methylbenzoic acid, 3-Nitro-<em>p</em>-toluic acid, <em>p</em>-Toluic acid, 3-nitro-, Benzoic acid, 4-methyl-3-nitro-, NSC 50659; object_uuid=fo-c8f5758d10d308a8
cas_match_labels 1 — consensus_match group_key=4-methyl-3-nitrobenzoicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'96-98-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c8f5758d10d308a8: {'96-98-0': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataGround level
population_densityUrban (>1000 people/square mile)

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '3-Nitro-4-methylbenzoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:96-98-0', 'https://commonchemistry.cas.org/detail?cas_rn=96-98-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Nitro-<em>p</em>-toluic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:96-98-0', 'https://commonchemistry.cas.org/detail?cas_rn=96-98-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-Toluic acid, 3-nitro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:96-98-0', 'https://commonchemistry.cas.org/detail?cas_rn=96-98-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzoic acid, 4-methyl-3-nitro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:96-98-0', 'https://commonchemistry.cas.org/detail?cas_rn=96-98-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 50659', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:96-98-0', 'https://commonchemistry.cas.org/detail?cas_rn=96-98-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=4-methyl-3-nitrobenzoicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=96-98-0; added Common Chemistry CAS names as altLabel: 3-Nitro-4-methylbenzoic acid, 3-Nitro-<em>p</em>-toluic acid, <em>p</em>-Toluic acid, 3-nitro-, Benzoic acid, 4-methyl-3-nitro-, NSC 50659; object_uuid=fo-c8f5758d10d308a8
cas_match_labels None {'96-98-0': 'exactMatch'} group_key=4-methyl-3-nitrobenzoicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'96-98-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c8f5758d10d308a8: {'96-98-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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